methyl 5-[4-[4-[(3-phenylpyridine-2-carbonyl)amino]phenyl]piperidine-1-carbonyl]pyridine-2-carboxylate

C31H28N4O4 — CID 171683543

IUPACmethyl 5-[4-[4-[(3-phenylpyridine-2-carbonyl)amino]phenyl]piperidine-1-carbonyl]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(C(=O)N2CCC(c3ccc(NC(=O)c4ncccc4-c4ccccc4)cc3)CC2)cn1
InChIInChI=1S/C31H28N4O4/c1-39-31(38)27-14-11-24(20-33-27)30(37)35-18-15-22(16-19-35)21-9-12-25(13-10-21)34-29(36)28-26(8-5-17-32-28)23-6-3-2-4-7-23/h2-14,17,20,22H,15-16,18-19H2,1H3,(H,34,36)
InChIKeyABYFBGMHIQFPHN-UHFFFAOYSA-N
MW520.59 g/mol
LogP5.20
Rot. Bonds6

About methyl 5-[4-[4-[(3-phenylpyridine-2-carbonyl)amino]phenyl]piperidine-1-carbonyl]pyridine-2-carboxylate

methyl 5-[4-[4-[(3-phenylpyridine-2-carbonyl)amino]phenyl]piperidine-1-carbonyl]pyridine-2-carboxylate (PubChem CID 171683543) has the molecular formula C31H28N4O4 and a molecular weight of 520.59 g/mol. Its IUPAC name is methyl 5-[4-[4-[(3-phenylpyridine-2-carbonyl)amino]phenyl]piperidine-1-carbonyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[4-[4-[(3-phenylpyridine-2-carbonyl)amino]phenyl]piperidine-1-carbonyl]pyridine-2-carboxylate
PubChem CID171683543
Molecular FormulaC31H28N4O4
Molecular Weight520.59 g/mol
Exact Mass520.21
IUPAC Namemethyl 5-[4-[4-[(3-phenylpyridine-2-carbonyl)amino]phenyl]piperidine-1-carbonyl]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(C(=O)N2CCC(c3ccc(NC(=O)c4ncccc4-c4ccccc4)cc3)CC2)cn1
InChIInChI=1S/C31H28N4O4/c1-39-31(38)27-14-11-24(20-33-27)30(37)35-18-15-22(16-19-35)21-9-12-25(13-10-21)34-29(36)28-26(8-5-17-32-28)23-6-3-2-4-7-23/h2-14,17,20,22H,15-16,18-19H2,1H3,(H,34,36)
InChIKeyABYFBGMHIQFPHN-UHFFFAOYSA-N
XLogP5.20
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.59
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 5-[4-[4-[(3-phenylpyridine-2-carbonyl)amino]phenyl]piperidine-1-carbonyl]pyridine-2-carboxylate with MolForge

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Related Compounds

methyl 6-[4-[4-([1,2,4]triazolo[1,5-a]pyridine-2-carbonylamino)phenyl]piperidine-1-carbonyl]naphthalene-2-carboxylate
CID 171681800
N-[4-[1-(3-hydroxy-5-nitrobenzoyl)piperidin-4-yl]phenyl]-2-phenylpyridine-3-carboxamide
CID 171681134
methyl 6-(4-benzoylpiperidine-1-carbonyl)pyridine-3-carboxylate
CID 33364889
N-[4-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]phenyl]-2-(trifluoromethyl)-1H-benzimidazole-4-carboxamide
CID 171681554
5-[3-(2-methoxyphenyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119137424
methyl 5-[(6-methoxycarbonyl-3-pyridinyl)carbamoyl]pyridine-2-carboxylate
CID 166208657
6-[4-[4-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]phenyl]piperidin-1-yl]pyridine-3-carboxylic acid
CID 46832326
[6-(2-methoxyethylamino)-3-pyridinyl]-[(4R)-4-phenylazepan-1-yl]methanone
CID 28954101
N-[4-[1-(6-tert-butylpyridine-3-carbonyl)piperidin-4-yl]phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 171683402
[6-(3-methoxyphenyl)-3-pyridinyl]-(4-phenylazepan-1-yl)methanone
CID 56864623
[1-(6-chloropyridine-3-carbonyl)piperidin-4-yl]-(4-phenylpiperidin-1-yl)methanone
CID 134799605
N-(4-cyclopropylphenyl)-4-phenylbenzamide
CID 123874228

Frequently Asked Questions

What is the IUPAC name of methyl 5-[4-[4-[(3-phenylpyridine-2-carbonyl)amino]phenyl]piperidine-1-carbonyl]pyridine-2-carboxylate?
The IUPAC name of methyl 5-[4-[4-[(3-phenylpyridine-2-carbonyl)amino]phenyl]piperidine-1-carbonyl]pyridine-2-carboxylate (CID 171683543) is methyl 5-[4-[4-[(3-phenylpyridine-2-carbonyl)amino]phenyl]piperidine-1-carbonyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-[4-[4-[(3-phenylpyridine-2-carbonyl)amino]phenyl]piperidine-1-carbonyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-[4-[4-[(3-phenylpyridine-2-carbonyl)amino]phenyl]piperidine-1-carbonyl]pyridine-2-carboxylate is COC(=O)c1ccc(C(=O)N2CCC(c3ccc(NC(=O)c4ncccc4-c4ccccc4)cc3)CC2)cn1.
What is the InChIKey of methyl 5-[4-[4-[(3-phenylpyridine-2-carbonyl)amino]phenyl]piperidine-1-carbonyl]pyridine-2-carboxylate?
The InChIKey is ABYFBGMHIQFPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N4O4/c1-39-31(38)27-14-11-24(20-33-27)30(37)35-18-15-22(16-19-35)21-9-12-25(13-10-21)34-29(36)28-26(8-5-17-32-28)23-6-3-2-4-7-23/h2-14,17,20,22H,15-16,18-19H2,1H3,(H,34,36).
What are the key properties of methyl 5-[4-[4-[(3-phenylpyridine-2-carbonyl)amino]phenyl]piperidine-1-carbonyl]pyridine-2-carboxylate?
methyl 5-[4-[4-[(3-phenylpyridine-2-carbonyl)amino]phenyl]piperidine-1-carbonyl]pyridine-2-carboxylate has a molecular weight of 520.59 g/mol, XLogP of 5.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[4-[4-[(3-phenylpyridine-2-carbonyl)amino]phenyl]piperidine-1-carbonyl]pyridine-2-carboxylate is sourced from PubChem (CID 171683543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).