methyl 4-decoxy-6-[[6-(phenylmethoxycarbonylamino)-2-pyridinyl]carbamoyl]pyridine-2-carboxylate

C31H38N4O6 — CID 11467150

IUPACmethyl 4-decoxy-6-[[6-(phenylmethoxycarbonylamino)-2-pyridinyl]carbamoyl]pyridine-2-carboxylate
SMILESCCCCCCCCCCOc1cc(C(=O)Nc2cccc(NC(=O)OCc3ccccc3)n2)nc(C(=O)OC)c1
InChIInChI=1S/C31H38N4O6/c1-3-4-5-6-7-8-9-13-19-40-24-20-25(32-26(21-24)30(37)39-2)29(36)34-27-17-14-18-28(33-27)35-31(38)41-22-23-15-11-10-12-16-23/h10-12,14-18,20-21H,3-9,13,19,22H2,1-2H3,(H2,33,34,35,36,38)
InChIKeyZFFLCFLUDTVOIR-UHFFFAOYSA-N
MW562.67 g/mol
LogP6.78
Rot. Bonds16

About methyl 4-decoxy-6-[[6-(phenylmethoxycarbonylamino)-2-pyridinyl]carbamoyl]pyridine-2-carboxylate

methyl 4-decoxy-6-[[6-(phenylmethoxycarbonylamino)-2-pyridinyl]carbamoyl]pyridine-2-carboxylate (PubChem CID 11467150) has the molecular formula C31H38N4O6 and a molecular weight of 562.67 g/mol. Its IUPAC name is methyl 4-decoxy-6-[[6-(phenylmethoxycarbonylamino)-2-pyridinyl]carbamoyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-decoxy-6-[[6-(phenylmethoxycarbonylamino)-2-pyridinyl]carbamoyl]pyridine-2-carboxylate
PubChem CID11467150
Molecular FormulaC31H38N4O6
Molecular Weight562.67 g/mol
Exact Mass562.28
IUPAC Namemethyl 4-decoxy-6-[[6-(phenylmethoxycarbonylamino)-2-pyridinyl]carbamoyl]pyridine-2-carboxylate
SMILESCCCCCCCCCCOc1cc(C(=O)Nc2cccc(NC(=O)OCc3ccccc3)n2)nc(C(=O)OC)c1
InChIInChI=1S/C31H38N4O6/c1-3-4-5-6-7-8-9-13-19-40-24-20-25(32-26(21-24)30(37)39-2)29(36)34-27-17-14-18-28(33-27)35-31(38)41-22-23-15-11-10-12-16-23/h10-12,14-18,20-21H,3-9,13,19,22H2,1-2H3,(H2,33,34,35,36,38)
InChIKeyZFFLCFLUDTVOIR-UHFFFAOYSA-N
XLogP6.78
TPSA128.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.67
LogP ≤ 56.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

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CID 25227847
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6-(2-Phenylmethoxyanilino)pyridine-2-carboxylic acid
CID 25008273
6-Phenoxymethyl-pyridine-2-carboxylic acid (6-hydroxycarbamoylmethyl-pyridin-2-yl)-amide
CID 44397761
Sodium 6-(2-phenylmethoxyanilino)pyridine-2-carboxylate
CID 44448985
ethyl N-(5-amino-2-oxo-3-phenyl-pyrido[4,3-b][1,4]oxazin-7-yl)carbamate
CID 460132
N-{6-[(hydroxyamino)carbonyl]pyridin-2-yl}-6-(phenoxymethyl)pyridine-2-carboxamide
CID 44397548
{6-[(6-Phenoxymethyl-pyridine-2-carbonyl)-amino]-pyridin-2-yl}-acetic acid
CID 44397940
6-Morpholin-4-yl-3-(2-phenylethoxy)pyridine-2-carboxamide
CID 145975709
N-[(7S)-2-methoxy-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]-4-phenoxypyridine-2-carboxamide
CID 159215972
3-(benzyloxy)-N-(6-methylpyridin-2-yl)benzamide
CID 2892734

Frequently Asked Questions

What is the IUPAC name of methyl 4-decoxy-6-[[6-(phenylmethoxycarbonylamino)-2-pyridinyl]carbamoyl]pyridine-2-carboxylate?
The IUPAC name of methyl 4-decoxy-6-[[6-(phenylmethoxycarbonylamino)-2-pyridinyl]carbamoyl]pyridine-2-carboxylate (CID 11467150) is methyl 4-decoxy-6-[[6-(phenylmethoxycarbonylamino)-2-pyridinyl]carbamoyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-decoxy-6-[[6-(phenylmethoxycarbonylamino)-2-pyridinyl]carbamoyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 4-decoxy-6-[[6-(phenylmethoxycarbonylamino)-2-pyridinyl]carbamoyl]pyridine-2-carboxylate is CCCCCCCCCCOc1cc(C(=O)Nc2cccc(NC(=O)OCc3ccccc3)n2)nc(C(=O)OC)c1.
What is the InChIKey of methyl 4-decoxy-6-[[6-(phenylmethoxycarbonylamino)-2-pyridinyl]carbamoyl]pyridine-2-carboxylate?
The InChIKey is ZFFLCFLUDTVOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38N4O6/c1-3-4-5-6-7-8-9-13-19-40-24-20-25(32-26(21-24)30(37)39-2)29(36)34-27-17-14-18-28(33-27)35-31(38)41-22-23-15-11-10-12-16-23/h10-12,14-18,20-21H,3-9,13,19,22H2,1-2H3,(H2,33,34,35,36,38).
What are the key properties of methyl 4-decoxy-6-[[6-(phenylmethoxycarbonylamino)-2-pyridinyl]carbamoyl]pyridine-2-carboxylate?
methyl 4-decoxy-6-[[6-(phenylmethoxycarbonylamino)-2-pyridinyl]carbamoyl]pyridine-2-carboxylate has a molecular weight of 562.67 g/mol, XLogP of 6.78, 16 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-decoxy-6-[[6-(phenylmethoxycarbonylamino)-2-pyridinyl]carbamoyl]pyridine-2-carboxylate is sourced from PubChem (CID 11467150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).