2-N-[6-[[6-[(6-amino-4-phenylmethoxy-2-pyridinyl)carbamoyl]-4-phenylmethoxypyridine-2-carbonyl]amino]-4-phenylmethoxy-2-pyridinyl]-6-N-[6-[[6-[[6-[[6-[(6-amino-4-phenylmethoxy-2-pyridinyl)carbamoyl]-4-phenylmethoxypyridine-2-carbonyl]amino]-4-phenylmethoxy-2-pyridinyl]carbamoyl]-4-phenylmethoxypyridine-2-carbonyl]amino]-4-phenylmethoxy-2-pyridinyl]-4-phenylmethoxypyridine-2,6-dicarboxamide

C116H93N19O17 — CID 177477738

IUPAC2-N-[6-[[6-[(6-amino-4-phenylmethoxy-2-pyridinyl)carbamoyl]-4-phenylmethoxypyridine-2-carbonyl]amino]-4-phenylmethoxy-2-pyridinyl]-6-N-[6-[[6-[[6-[[6-[(6-amino-4-phenylmethoxy-2-pyridinyl)carbamoyl]-4-phenylmethoxypyridine-2-carbonyl]amino]-4-phenylmethoxy-2-pyridinyl]carbamoyl]-4-phenylmethoxypyridine-2-carbonyl]amino]-4-phenylmethoxy-2-pyridinyl]-4-phenylmethoxypyridine-2,6-dicarboxamide
SMILESNc1cc(OCc2ccccc2)cc(NC(=O)c2cc(OCc3ccccc3)cc(C(=O)Nc3cc(OCc4ccccc4)cc(NC(=O)c4cc(OCc5ccccc5)cc(C(=O)Nc5cc(OCc6ccccc6)cc(NC(=O)c6cc(OCc7ccccc7)cc(C(=O)Nc7cc(OCc8ccccc8)cc(NC(=O)c8cc(OCc9ccccc9)cc(C(=O)Nc9cc(OCc%10ccccc%10)cc(N)n9)n8)n7)n6)n5)n4)n3)n2)n1
InChIInChI=1S/C116H93N19O17/c117-99-54-86(148-68-77-36-18-5-19-37-77)56-101(123-99)128-109(136)91-46-82(144-64-73-28-10-1-11-29-73)48-93(119-91)111(138)130-103-58-88(150-70-79-40-22-7-23-41-79)60-105(125-103)132-113(140)95-50-84(146-66-75-32-14-3-15-33-75)52-97(121-95)115(142)134-107-62-90(152-72-81-44-26-9-27-45-81)63-108(127-107)135-116(143)98-53-85(147-67-76-34-16-4-17-35-76)51-96(122-98)114(141)133-106-61-89(151-71-80-42-24-8-25-43-80)59-104(126-106)131-112(139)94-49-83(145-65-74-30-12-2-13-31-74)47-92(120-94)110(137)129-102-57-87(55-100(118)124-102)149-69-78-38-20-6-21-39-78/h1-63H,64-72H2,(H3,117,123,128,136)(H3,118,124,129,137)(H2,125,130,132,138,140)(H2,126,131,133,139,141)(H2,127,134,135,142,143)
InChIKeyMLAFVVRFAXCPLA-UHFFFAOYSA-N
MW2025.14 g/mol
LogP19.64
Rot. Bonds43

About 2-N-[6-[[6-[(6-amino-4-phenylmethoxy-2-pyridinyl)carbamoyl]-4-phenylmethoxypyridine-2-carbonyl]amino]-4-phenylmethoxy-2-pyridinyl]-6-N-[6-[[6-[[6-[[6-[(6-amino-4-phenylmethoxy-2-pyridinyl)carbamoyl]-4-phenylmethoxypyridine-2-carbonyl]amino]-4-phenylmethoxy-2-pyridinyl]carbamoyl]-4-phenylmethoxypyridine-2-carbonyl]amino]-4-phenylmethoxy-2-pyridinyl]-4-phenylmethoxypyridine-2,6-dicarboxamide

2-N-[6-[[6-[(6-amino-4-phenylmethoxy-2-pyridinyl)carbamoyl]-4-phenylmethoxypyridine-2-carbonyl]amino]-4-phenylmethoxy-2-pyridinyl]-6-N-[6-[[6-[[6-[[6-[(6-amino-4-phenylmethoxy-2-pyridinyl)carbamoyl]-4-phenylmethoxypyridine-2-carbonyl]amino]-4-phenylmethoxy-2-pyridinyl]carbamoyl]-4-phenylmethoxypyridine-2-carbonyl]amino]-4-phenylmethoxy-2-pyridinyl]-4-phenylmethoxypyridine-2,6-dicarboxamide (PubChem CID 177477738) has the molecular formula C116H93N19O17 and a molecular weight of 2025.14 g/mol. Its IUPAC name is 2-N-[6-[[6-[(6-amino-4-phenylmethoxy-2-pyridinyl)carbamoyl]-4-phenylmethoxypyridine-2-carbonyl]amino]-4-phenylmethoxy-2-pyridinyl]-6-N-[6-[[6-[[6-[[6-[(6-amino-4-phenylmethoxy-2-pyridinyl)carbamoyl]-4-phenylmethoxypyridine-2-carbonyl]amino]-4-phenylmethoxy-2-pyridinyl]carbamoyl]-4-phenylmethoxypyridine-2-carbonyl]amino]-4-phenylmethoxy-2-pyridinyl]-4-phenylmethoxypyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N-[6-[[6-[(6-amino-4-phenylmethoxy-2-pyridinyl)carbamoyl]-4-phenylmethoxypyridine-2-carbonyl]amino]-4-phenylmethoxy-2-pyridinyl]-6-N-[6-[[6-[[6-[[6-[(6-amino-4-phenylmethoxy-2-pyridinyl)carbamoyl]-4-phenylmethoxypyridine-2-carbonyl]amino]-4-phenylmethoxy-2-pyridinyl]carbamoyl]-4-phenylmethoxypyridine-2-carbonyl]amino]-4-phenylmethoxy-2-pyridinyl]-4-phenylmethoxypyridine-2,6-dicarboxamide
PubChem CID177477738
Molecular FormulaC116H93N19O17
Molecular Weight2025.14 g/mol
Exact Mass2023.70
IUPAC Name2-N-[6-[[6-[(6-amino-4-phenylmethoxy-2-pyridinyl)carbamoyl]-4-phenylmethoxypyridine-2-carbonyl]amino]-4-phenylmethoxy-2-pyridinyl]-6-N-[6-[[6-[[6-[[6-[(6-amino-4-phenylmethoxy-2-pyridinyl)carbamoyl]-4-phenylmethoxypyridine-2-carbonyl]amino]-4-phenylmethoxy-2-pyridinyl]carbamoyl]-4-phenylmethoxypyridine-2-carbonyl]amino]-4-phenylmethoxy-2-pyridinyl]-4-phenylmethoxypyridine-2,6-dicarboxamide
SMILESNc1cc(OCc2ccccc2)cc(NC(=O)c2cc(OCc3ccccc3)cc(C(=O)Nc3cc(OCc4ccccc4)cc(NC(=O)c4cc(OCc5ccccc5)cc(C(=O)Nc5cc(OCc6ccccc6)cc(NC(=O)c6cc(OCc7ccccc7)cc(C(=O)Nc7cc(OCc8ccccc8)cc(NC(=O)c8cc(OCc9ccccc9)cc(C(=O)Nc9cc(OCc%10ccccc%10)cc(N)n9)n8)n7)n6)n5)n4)n3)n2)n1
InChIInChI=1S/C116H93N19O17/c117-99-54-86(148-68-77-36-18-5-19-37-77)56-101(123-99)128-109(136)91-46-82(144-64-73-28-10-1-11-29-73)48-93(119-91)111(138)130-103-58-88(150-70-79-40-22-7-23-41-79)60-105(125-103)132-113(140)95-50-84(146-66-75-32-14-3-15-33-75)52-97(121-95)115(142)134-107-62-90(152-72-81-44-26-9-27-45-81)63-108(127-107)135-116(143)98-53-85(147-67-76-34-16-4-17-35-76)51-96(122-98)114(141)133-106-61-89(151-71-80-42-24-8-25-43-80)59-104(126-106)131-112(139)94-49-83(145-65-74-30-12-2-13-31-74)47-92(120-94)110(137)129-102-57-87(55-100(118)124-102)149-69-78-38-20-6-21-39-78/h1-63H,64-72H2,(H3,117,123,128,136)(H3,118,124,129,137)(H2,125,130,132,138,140)(H2,126,131,133,139,141)(H2,127,134,135,142,143)
InChIKeyMLAFVVRFAXCPLA-UHFFFAOYSA-N
XLogP19.64
TPSA483.92 Ų
H-Bond Donors10
H-Bond Acceptors28
Rotatable Bonds43
Heavy Atoms152
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002025.14
LogP ≤ 519.64
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1028

Analyze 2-N-[6-[[6-[(6-amino-4-phenylmethoxy-2-pyridinyl)carbamoyl]-4-phenylmethoxypyridine-2-carbonyl]amino]-4-phenylmethoxy-2-pyridinyl]-6-N-[6-[[6-[[6-[[6-[(6-amino-4-phenylmethoxy-2-pyridinyl)carbamoyl]-4-phenylmethoxypyridine-2-carbonyl]amino]-4-phenylmethoxy-2-pyridinyl]carbamoyl]-4-phenylmethoxypyridine-2-carbonyl]amino]-4-phenylmethoxy-2-pyridinyl]-4-phenylmethoxypyridine-2,6-dicarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N-[6-[[6-[(6-amino-4-phenylmethoxy-2-pyridinyl)carbamoyl]-4-phenylmethoxypyridine-2-carbonyl]amino]-4-phenylmethoxy-2-pyridinyl]-6-N-[6-[[6-[[6-[[6-[(6-amino-4-phenylmethoxy-2-pyridinyl)carbamoyl]-4-phenylmethoxypyridine-2-carbonyl]amino]-4-phenylmethoxy-2-pyridinyl]carbamoyl]-4-phenylmethoxypyridine-2-carbonyl]amino]-4-phenylmethoxy-2-pyridinyl]-4-phenylmethoxypyridine-2,6-dicarboxamide?
The IUPAC name of 2-N-[6-[[6-[(6-amino-4-phenylmethoxy-2-pyridinyl)carbamoyl]-4-phenylmethoxypyridine-2-carbonyl]amino]-4-phenylmethoxy-2-pyridinyl]-6-N-[6-[[6-[[6-[[6-[(6-amino-4-phenylmethoxy-2-pyridinyl)carbamoyl]-4-phenylmethoxypyridine-2-carbonyl]amino]-4-phenylmethoxy-2-pyridinyl]carbamoyl]-4-phenylmethoxypyridine-2-carbonyl]amino]-4-phenylmethoxy-2-pyridinyl]-4-phenylmethoxypyridine-2,6-dicarboxamide (CID 177477738) is 2-N-[6-[[6-[(6-amino-4-phenylmethoxy-2-pyridinyl)carbamoyl]-4-phenylmethoxypyridine-2-carbonyl]amino]-4-phenylmethoxy-2-pyridinyl]-6-N-[6-[[6-[[6-[[6-[(6-amino-4-phenylmethoxy-2-pyridinyl)carbamoyl]-4-phenylmethoxypyridine-2-carbonyl]amino]-4-phenylmethoxy-2-pyridinyl]carbamoyl]-4-phenylmethoxypyridine-2-carbonyl]amino]-4-phenylmethoxy-2-pyridinyl]-4-phenylmethoxypyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N-[6-[[6-[(6-amino-4-phenylmethoxy-2-pyridinyl)carbamoyl]-4-phenylmethoxypyridine-2-carbonyl]amino]-4-phenylmethoxy-2-pyridinyl]-6-N-[6-[[6-[[6-[[6-[(6-amino-4-phenylmethoxy-2-pyridinyl)carbamoyl]-4-phenylmethoxypyridine-2-carbonyl]amino]-4-phenylmethoxy-2-pyridinyl]carbamoyl]-4-phenylmethoxypyridine-2-carbonyl]amino]-4-phenylmethoxy-2-pyridinyl]-4-phenylmethoxypyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N-[6-[[6-[(6-amino-4-phenylmethoxy-2-pyridinyl)carbamoyl]-4-phenylmethoxypyridine-2-carbonyl]amino]-4-phenylmethoxy-2-pyridinyl]-6-N-[6-[[6-[[6-[[6-[(6-amino-4-phenylmethoxy-2-pyridinyl)carbamoyl]-4-phenylmethoxypyridine-2-carbonyl]amino]-4-phenylmethoxy-2-pyridinyl]carbamoyl]-4-phenylmethoxypyridine-2-carbonyl]amino]-4-phenylmethoxy-2-pyridinyl]-4-phenylmethoxypyridine-2,6-dicarboxamide is Nc1cc(OCc2ccccc2)cc(NC(=O)c2cc(OCc3ccccc3)cc(C(=O)Nc3cc(OCc4ccccc4)cc(NC(=O)c4cc(OCc5ccccc5)cc(C(=O)Nc5cc(OCc6ccccc6)cc(NC(=O)c6cc(OCc7ccccc7)cc(C(=O)Nc7cc(OCc8ccccc8)cc(NC(=O)c8cc(OCc9ccccc9)cc(C(=O)Nc9cc(OCc%10ccccc%10)cc(N)n9)n8)n7)n6)n5)n4)n3)n2)n1.
What is the InChIKey of 2-N-[6-[[6-[(6-amino-4-phenylmethoxy-2-pyridinyl)carbamoyl]-4-phenylmethoxypyridine-2-carbonyl]amino]-4-phenylmethoxy-2-pyridinyl]-6-N-[6-[[6-[[6-[[6-[(6-amino-4-phenylmethoxy-2-pyridinyl)carbamoyl]-4-phenylmethoxypyridine-2-carbonyl]amino]-4-phenylmethoxy-2-pyridinyl]carbamoyl]-4-phenylmethoxypyridine-2-carbonyl]amino]-4-phenylmethoxy-2-pyridinyl]-4-phenylmethoxypyridine-2,6-dicarboxamide?
The InChIKey is MLAFVVRFAXCPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C116H93N19O17/c117-99-54-86(148-68-77-36-18-5-19-37-77)56-101(123-99)128-109(136)91-46-82(144-64-73-28-10-1-11-29-73)48-93(119-91)111(138)130-103-58-88(150-70-79-40-22-7-23-41-79)60-105(125-103)132-113(140)95-50-84(146-66-75-32-14-3-15-33-75)52-97(121-95)115(142)134-107-62-90(152-72-81-44-26-9-27-45-81)63-108(127-107)135-116(143)98-53-85(147-67-76-34-16-4-17-35-76)51-96(122-98)114(141)133-106-61-89(151-71-80-42-24-8-25-43-80)59-104(126-106)131-112(139)94-49-83(145-65-74-30-12-2-13-31-74)47-92(120-94)110(137)129-102-57-87(55-100(118)124-102)149-69-78-38-20-6-21-39-78/h1-63H,64-72H2,(H3,117,123,128,136)(H3,118,124,129,137)(H2,125,130,132,138,140)(H2,126,131,133,139,141)(H2,127,134,135,142,143).
What are the key properties of 2-N-[6-[[6-[(6-amino-4-phenylmethoxy-2-pyridinyl)carbamoyl]-4-phenylmethoxypyridine-2-carbonyl]amino]-4-phenylmethoxy-2-pyridinyl]-6-N-[6-[[6-[[6-[[6-[(6-amino-4-phenylmethoxy-2-pyridinyl)carbamoyl]-4-phenylmethoxypyridine-2-carbonyl]amino]-4-phenylmethoxy-2-pyridinyl]carbamoyl]-4-phenylmethoxypyridine-2-carbonyl]amino]-4-phenylmethoxy-2-pyridinyl]-4-phenylmethoxypyridine-2,6-dicarboxamide?
2-N-[6-[[6-[(6-amino-4-phenylmethoxy-2-pyridinyl)carbamoyl]-4-phenylmethoxypyridine-2-carbonyl]amino]-4-phenylmethoxy-2-pyridinyl]-6-N-[6-[[6-[[6-[[6-[(6-amino-4-phenylmethoxy-2-pyridinyl)carbamoyl]-4-phenylmethoxypyridine-2-carbonyl]amino]-4-phenylmethoxy-2-pyridinyl]carbamoyl]-4-phenylmethoxypyridine-2-carbonyl]amino]-4-phenylmethoxy-2-pyridinyl]-4-phenylmethoxypyridine-2,6-dicarboxamide has a molecular weight of 2025.14 g/mol, XLogP of 19.64, 43 rotatable bonds, 10 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[6-[[6-[(6-amino-4-phenylmethoxy-2-pyridinyl)carbamoyl]-4-phenylmethoxypyridine-2-carbonyl]amino]-4-phenylmethoxy-2-pyridinyl]-6-N-[6-[[6-[[6-[[6-[(6-amino-4-phenylmethoxy-2-pyridinyl)carbamoyl]-4-phenylmethoxypyridine-2-carbonyl]amino]-4-phenylmethoxy-2-pyridinyl]carbamoyl]-4-phenylmethoxypyridine-2-carbonyl]amino]-4-phenylmethoxy-2-pyridinyl]-4-phenylmethoxypyridine-2,6-dicarboxamide is sourced from PubChem (CID 177477738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).