6-(5-aminonaphthalen-1-yl)oxy-N-[6-[[6-(5-aminonaphthalen-1-yl)oxypyridine-3-carbonyl]amino]-2-pyridinyl]pyridine-3-carboxamide

C37H27N7O4 — CID 122387849

IUPAC6-(5-aminonaphthalen-1-yl)oxy-N-[6-[[6-(5-aminonaphthalen-1-yl)oxypyridine-3-carbonyl]amino]-2-pyridinyl]pyridine-3-carboxamide
SMILESNc1cccc2c(Oc3ccc(C(=O)Nc4cccc(NC(=O)c5ccc(Oc6cccc7c(N)cccc67)nc5)n4)cn3)cccc12
InChIInChI=1S/C37H27N7O4/c38-28-10-1-8-26-24(28)6-3-12-30(26)47-34-18-16-22(20-40-34)36(45)43-32-14-5-15-33(42-32)44-37(46)23-17-19-35(41-21-23)48-31-13-4-7-25-27(31)9-2-11-29(25)39/h1-21H,38-39H2,(H2,42,43,44,45,46)
InChIKeyGWDWPOQUXBAIFW-UHFFFAOYSA-N
MW633.67 g/mol
LogP7.43
Rot. Bonds8

About 6-(5-aminonaphthalen-1-yl)oxy-N-[6-[[6-(5-aminonaphthalen-1-yl)oxypyridine-3-carbonyl]amino]-2-pyridinyl]pyridine-3-carboxamide

6-(5-aminonaphthalen-1-yl)oxy-N-[6-[[6-(5-aminonaphthalen-1-yl)oxypyridine-3-carbonyl]amino]-2-pyridinyl]pyridine-3-carboxamide (PubChem CID 122387849) has the molecular formula C37H27N7O4 and a molecular weight of 633.67 g/mol. Its IUPAC name is 6-(5-aminonaphthalen-1-yl)oxy-N-[6-[[6-(5-aminonaphthalen-1-yl)oxypyridine-3-carbonyl]amino]-2-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(5-aminonaphthalen-1-yl)oxy-N-[6-[[6-(5-aminonaphthalen-1-yl)oxypyridine-3-carbonyl]amino]-2-pyridinyl]pyridine-3-carboxamide
PubChem CID122387849
Molecular FormulaC37H27N7O4
Molecular Weight633.67 g/mol
Exact Mass633.21
IUPAC Name6-(5-aminonaphthalen-1-yl)oxy-N-[6-[[6-(5-aminonaphthalen-1-yl)oxypyridine-3-carbonyl]amino]-2-pyridinyl]pyridine-3-carboxamide
SMILESNc1cccc2c(Oc3ccc(C(=O)Nc4cccc(NC(=O)c5ccc(Oc6cccc7c(N)cccc67)nc5)n4)cn3)cccc12
InChIInChI=1S/C37H27N7O4/c38-28-10-1-8-26-24(28)6-3-12-30(26)47-34-18-16-22(20-40-34)36(45)43-32-14-5-15-33(42-32)44-37(46)23-17-19-35(41-21-23)48-31-13-4-7-25-27(31)9-2-11-29(25)39/h1-21H,38-39H2,(H2,42,43,44,45,46)
InChIKeyGWDWPOQUXBAIFW-UHFFFAOYSA-N
XLogP7.43
TPSA167.37 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.67
LogP ≤ 57.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 6-(5-aminonaphthalen-1-yl)oxy-N-[6-[[6-(5-aminonaphthalen-1-yl)oxypyridine-3-carbonyl]amino]-2-pyridinyl]pyridine-3-carboxamide with MolForge

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Related Compounds

6-bromo-N-(6-bromo-2-pyridinyl)pyridine-3-carboxamide
CID 59408764
6-amino-N-(6-methyl-2-pyridinyl)pyridine-3-carboxamide
CID 62060328
4-[(5-methyl-2-pyridinyl)oxy]naphthalen-1-amine
CID 63691348
6-methoxy-N-pyridin-2-ylpyridine-3-carboxamide
CID 35035663
tert-butyl N-[6-[[5-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]carbamoyl]pyridine-2-carbonyl]amino]-2-pyridinyl]carbamate
CID 102215306
ethyl 6-(2-amino-3-hydroxyphenoxy)pyridine-3-carboxylate
CID 114764586
6-[5-[(cyclohexylmethylamino)methyl]naphthalen-1-yl]oxypyridine-3-carboxamide
CID 25119727
N-(2-aminophenyl)-6-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]pyridine-3-carboxamide
CID 175347336
4-ethoxy-N-[6-[(4-ethoxybenzoyl)amino]-2-pyridinyl]benzamide
CID 4204904
6-[(6-fluoropyridine-3-carbonyl)amino]pyridine-2-carboxylic acid
CID 114036709
6-bromo-N-(6-chloro-2-pyridinyl)pyridine-3-carboxamide
CID 79946333
3,4,5-trimethoxy-N-(6-methoxy-2-pyridinyl)benzamide
CID 171387606

Frequently Asked Questions

What is the IUPAC name of 6-(5-aminonaphthalen-1-yl)oxy-N-[6-[[6-(5-aminonaphthalen-1-yl)oxypyridine-3-carbonyl]amino]-2-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of 6-(5-aminonaphthalen-1-yl)oxy-N-[6-[[6-(5-aminonaphthalen-1-yl)oxypyridine-3-carbonyl]amino]-2-pyridinyl]pyridine-3-carboxamide (CID 122387849) is 6-(5-aminonaphthalen-1-yl)oxy-N-[6-[[6-(5-aminonaphthalen-1-yl)oxypyridine-3-carbonyl]amino]-2-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(5-aminonaphthalen-1-yl)oxy-N-[6-[[6-(5-aminonaphthalen-1-yl)oxypyridine-3-carbonyl]amino]-2-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(5-aminonaphthalen-1-yl)oxy-N-[6-[[6-(5-aminonaphthalen-1-yl)oxypyridine-3-carbonyl]amino]-2-pyridinyl]pyridine-3-carboxamide is Nc1cccc2c(Oc3ccc(C(=O)Nc4cccc(NC(=O)c5ccc(Oc6cccc7c(N)cccc67)nc5)n4)cn3)cccc12.
What is the InChIKey of 6-(5-aminonaphthalen-1-yl)oxy-N-[6-[[6-(5-aminonaphthalen-1-yl)oxypyridine-3-carbonyl]amino]-2-pyridinyl]pyridine-3-carboxamide?
The InChIKey is GWDWPOQUXBAIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H27N7O4/c38-28-10-1-8-26-24(28)6-3-12-30(26)47-34-18-16-22(20-40-34)36(45)43-32-14-5-15-33(42-32)44-37(46)23-17-19-35(41-21-23)48-31-13-4-7-25-27(31)9-2-11-29(25)39/h1-21H,38-39H2,(H2,42,43,44,45,46).
What are the key properties of 6-(5-aminonaphthalen-1-yl)oxy-N-[6-[[6-(5-aminonaphthalen-1-yl)oxypyridine-3-carbonyl]amino]-2-pyridinyl]pyridine-3-carboxamide?
6-(5-aminonaphthalen-1-yl)oxy-N-[6-[[6-(5-aminonaphthalen-1-yl)oxypyridine-3-carbonyl]amino]-2-pyridinyl]pyridine-3-carboxamide has a molecular weight of 633.67 g/mol, XLogP of 7.43, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-aminonaphthalen-1-yl)oxy-N-[6-[[6-(5-aminonaphthalen-1-yl)oxypyridine-3-carbonyl]amino]-2-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 122387849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).