4-decoxy-6-[[6-[[4-decoxy-6-[[6-(phenylmethoxycarbonylamino)-2-pyridinyl]carbamoyl]pyridine-2-carbonyl]amino]-2-pyridinyl]carbamoyl]pyridine-2-carboxylic acid

C52H64N8O9 — CID 11274589

IUPAC4-decoxy-6-[[6-[[4-decoxy-6-[[6-(phenylmethoxycarbonylamino)-2-pyridinyl]carbamoyl]pyridine-2-carbonyl]amino]-2-pyridinyl]carbamoyl]pyridine-2-carboxylic acid
SMILESCCCCCCCCCCOc1cc(C(=O)O)nc(C(=O)Nc2cccc(NC(=O)c3cc(OCCCCCCCCCC)cc(C(=O)Nc4cccc(NC(=O)OCc5ccccc5)n4)n3)n2)c1
InChIInChI=1S/C52H64N8O9/c1-3-5-7-9-11-13-15-20-30-67-38-32-40(53-41(33-38)49(62)59-46-28-23-29-47(56-46)60-52(66)69-36-37-24-18-17-19-25-37)48(61)57-44-26-22-27-45(55-44)58-50(63)42-34-39(35-43(54-42)51(64)65)68-31-21-16-14-12-10-8-6-4-2/h17-19,22-29,32-35H,3-16,20-21,30-31,36H2,1-2H3,(H,64,65)(H2,55,57,58,61,63)(H2,56,59,60,62,66)
InChIKeyFAULJIYXLQSMNC-UHFFFAOYSA-N
MW945.13 g/mol
LogP11.51
Rot. Bonds30

About 4-decoxy-6-[[6-[[4-decoxy-6-[[6-(phenylmethoxycarbonylamino)-2-pyridinyl]carbamoyl]pyridine-2-carbonyl]amino]-2-pyridinyl]carbamoyl]pyridine-2-carboxylic acid

4-decoxy-6-[[6-[[4-decoxy-6-[[6-(phenylmethoxycarbonylamino)-2-pyridinyl]carbamoyl]pyridine-2-carbonyl]amino]-2-pyridinyl]carbamoyl]pyridine-2-carboxylic acid (PubChem CID 11274589) has the molecular formula C52H64N8O9 and a molecular weight of 945.13 g/mol. Its IUPAC name is 4-decoxy-6-[[6-[[4-decoxy-6-[[6-(phenylmethoxycarbonylamino)-2-pyridinyl]carbamoyl]pyridine-2-carbonyl]amino]-2-pyridinyl]carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-decoxy-6-[[6-[[4-decoxy-6-[[6-(phenylmethoxycarbonylamino)-2-pyridinyl]carbamoyl]pyridine-2-carbonyl]amino]-2-pyridinyl]carbamoyl]pyridine-2-carboxylic acid
PubChem CID11274589
Molecular FormulaC52H64N8O9
Molecular Weight945.13 g/mol
Exact Mass944.48
IUPAC Name4-decoxy-6-[[6-[[4-decoxy-6-[[6-(phenylmethoxycarbonylamino)-2-pyridinyl]carbamoyl]pyridine-2-carbonyl]amino]-2-pyridinyl]carbamoyl]pyridine-2-carboxylic acid
SMILESCCCCCCCCCCOc1cc(C(=O)O)nc(C(=O)Nc2cccc(NC(=O)c3cc(OCCCCCCCCCC)cc(C(=O)Nc4cccc(NC(=O)OCc5ccccc5)n4)n3)n2)c1
InChIInChI=1S/C52H64N8O9/c1-3-5-7-9-11-13-15-20-30-67-38-32-40(53-41(33-38)49(62)59-46-28-23-29-47(56-46)60-52(66)69-36-37-24-18-17-19-25-37)48(61)57-44-26-22-27-45(55-44)58-50(63)42-34-39(35-43(54-42)51(64)65)68-31-21-16-14-12-10-8-6-4-2/h17-19,22-29,32-35H,3-16,20-21,30-31,36H2,1-2H3,(H,64,65)(H2,55,57,58,61,63)(H2,56,59,60,62,66)
InChIKeyFAULJIYXLQSMNC-UHFFFAOYSA-N
XLogP11.51
TPSA232.95 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds30
Heavy Atoms69
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500945.13
LogP ≤ 511.51
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 4-decoxy-6-[[6-[[4-decoxy-6-[[6-(phenylmethoxycarbonylamino)-2-pyridinyl]carbamoyl]pyridine-2-carbonyl]amino]-2-pyridinyl]carbamoyl]pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Pyridostatin
CID 25227847
Bcl-2 inhibitor PDF
CID 90466365
{6-[(6-Phenoxymethyl-pyridine-2-carbonyl)-amino]-pyridin-2-yl}-acetic acid
CID 44397940
N2,N6-bis(4-(2-aminoethoxy)quinolin-2-yl)-4-((4-fluorobenzyl)oxy)pyridine-2,6-dicarboxamide
CID 46849512
Pyridostatin TFA salt;PDS
CID 137797056
Pyridostatin Trifluoroacetate
CID 117064504
6-(4-Fluoroanilino)-5-(2-methylpropanimidoyl)-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methoxy]pyridine-2-carboxylic acid
CID 145290165
6-(4-Fluoroanilino)-4-[(1-methoxycarbonylpiperidin-4-yl)methoxy]-5-(2-methylpropanimidoyl)pyridine-2-carboxylic acid
CID 145290561
4-[(1-Acetylpiperidin-4-yl)methoxy]-6-(4-fluoroanilino)-5-(2-methylpropanimidoyl)pyridine-2-carboxylic acid
CID 145290690
6-morpholin-4-ylpyridine-2-carboxylic acid;6-morpholin-4-yl-N-[6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]pyridine-2-carboxamide;6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine
CID 158509760
2-N-[4-(2-aminoethoxy)quinolin-2-yl]-4-[(4-fluorophenyl)methoxy]-6-N-[4-[2-(methylamino)ethoxy]quinolin-2-yl]pyridine-2,6-dicarboxamide
CID 168251039
4-(2-azanylethoxy)-N2,N6-bis[4-(2-azanylethoxy)quinolin-2-yl]pyridine-2,6-dicarboxamide
CID 163410381

Frequently Asked Questions

What is the IUPAC name of 4-decoxy-6-[[6-[[4-decoxy-6-[[6-(phenylmethoxycarbonylamino)-2-pyridinyl]carbamoyl]pyridine-2-carbonyl]amino]-2-pyridinyl]carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-decoxy-6-[[6-[[4-decoxy-6-[[6-(phenylmethoxycarbonylamino)-2-pyridinyl]carbamoyl]pyridine-2-carbonyl]amino]-2-pyridinyl]carbamoyl]pyridine-2-carboxylic acid (CID 11274589) is 4-decoxy-6-[[6-[[4-decoxy-6-[[6-(phenylmethoxycarbonylamino)-2-pyridinyl]carbamoyl]pyridine-2-carbonyl]amino]-2-pyridinyl]carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-decoxy-6-[[6-[[4-decoxy-6-[[6-(phenylmethoxycarbonylamino)-2-pyridinyl]carbamoyl]pyridine-2-carbonyl]amino]-2-pyridinyl]carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-decoxy-6-[[6-[[4-decoxy-6-[[6-(phenylmethoxycarbonylamino)-2-pyridinyl]carbamoyl]pyridine-2-carbonyl]amino]-2-pyridinyl]carbamoyl]pyridine-2-carboxylic acid is CCCCCCCCCCOc1cc(C(=O)O)nc(C(=O)Nc2cccc(NC(=O)c3cc(OCCCCCCCCCC)cc(C(=O)Nc4cccc(NC(=O)OCc5ccccc5)n4)n3)n2)c1.
What is the InChIKey of 4-decoxy-6-[[6-[[4-decoxy-6-[[6-(phenylmethoxycarbonylamino)-2-pyridinyl]carbamoyl]pyridine-2-carbonyl]amino]-2-pyridinyl]carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is FAULJIYXLQSMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H64N8O9/c1-3-5-7-9-11-13-15-20-30-67-38-32-40(53-41(33-38)49(62)59-46-28-23-29-47(56-46)60-52(66)69-36-37-24-18-17-19-25-37)48(61)57-44-26-22-27-45(55-44)58-50(63)42-34-39(35-43(54-42)51(64)65)68-31-21-16-14-12-10-8-6-4-2/h17-19,22-29,32-35H,3-16,20-21,30-31,36H2,1-2H3,(H,64,65)(H2,55,57,58,61,63)(H2,56,59,60,62,66).
What are the key properties of 4-decoxy-6-[[6-[[4-decoxy-6-[[6-(phenylmethoxycarbonylamino)-2-pyridinyl]carbamoyl]pyridine-2-carbonyl]amino]-2-pyridinyl]carbamoyl]pyridine-2-carboxylic acid?
4-decoxy-6-[[6-[[4-decoxy-6-[[6-(phenylmethoxycarbonylamino)-2-pyridinyl]carbamoyl]pyridine-2-carbonyl]amino]-2-pyridinyl]carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 945.13 g/mol, XLogP of 11.51, 30 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-decoxy-6-[[6-[[4-decoxy-6-[[6-(phenylmethoxycarbonylamino)-2-pyridinyl]carbamoyl]pyridine-2-carbonyl]amino]-2-pyridinyl]carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 11274589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).