N-(2-methoxyphenyl)-2-[4-[(3-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]pyridine-4-carboxamide

C27H30N4O4 — CID 46360662

IUPACN-(2-methoxyphenyl)-2-[4-[(3-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]pyridine-4-carboxamide
SMILESCOc1cccc(CNC(=O)C2CCN(c3cc(C(=O)Nc4ccccc4OC)ccn3)CC2)c1
InChIInChI=1S/C27H30N4O4/c1-34-22-7-5-6-19(16-22)18-29-26(32)20-11-14-31(15-12-20)25-17-21(10-13-28-25)27(33)30-23-8-3-4-9-24(23)35-2/h3-10,13,16-17,20H,11-12,14-15,18H2,1-2H3,(H,29,32)(H,30,33)
InChIKeyPRGXWFOUFFSCPR-UHFFFAOYSA-N
MW474.56 g/mol
LogP3.88
Rot. Bonds8

About N-(2-methoxyphenyl)-2-[4-[(3-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]pyridine-4-carboxamide

N-(2-methoxyphenyl)-2-[4-[(3-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]pyridine-4-carboxamide (PubChem CID 46360662) has the molecular formula C27H30N4O4 and a molecular weight of 474.56 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-[4-[(3-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-[4-[(3-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]pyridine-4-carboxamide
PubChem CID46360662
Molecular FormulaC27H30N4O4
Molecular Weight474.56 g/mol
Exact Mass474.23
IUPAC NameN-(2-methoxyphenyl)-2-[4-[(3-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]pyridine-4-carboxamide
SMILESCOc1cccc(CNC(=O)C2CCN(c3cc(C(=O)Nc4ccccc4OC)ccn3)CC2)c1
InChIInChI=1S/C27H30N4O4/c1-34-22-7-5-6-19(16-22)18-29-26(32)20-11-14-31(15-12-20)25-17-21(10-13-28-25)27(33)30-23-8-3-4-9-24(23)35-2/h3-10,13,16-17,20H,11-12,14-15,18H2,1-2H3,(H,29,32)(H,30,33)
InChIKeyPRGXWFOUFFSCPR-UHFFFAOYSA-N
XLogP3.88
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.56
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[(2-ethylphenyl)carbamoyl]piperidin-1-yl]-N-(2-methoxyphenyl)pyridine-4-carboxamide
CID 46360651
2-[4-[(4-fluorophenyl)carbamoyl]piperidin-1-yl]-N-(2-methoxyphenyl)pyridine-4-carboxamide
CID 46360654
N-(2-fluorophenyl)-2-[4-[(4-fluorophenyl)methylcarbamoyl]piperidin-1-yl]pyridine-4-carboxamide
CID 46360827
2-[4-[(3,4-dimethoxyphenyl)carbamoyl]piperidin-1-yl]-N-(3-methoxyphenyl)pyridine-4-carboxamide
CID 46360787
2-[4-[(3,4-dimethylphenyl)carbamoyl]piperidin-1-yl]-N-(3-methoxyphenyl)pyridine-4-carboxamide
CID 46360796
2-[4-(cyclopentylcarbamoyl)piperidin-1-yl]-N-(3-methoxyphenyl)pyridine-4-carboxamide
CID 20867008
N-(2-fluorophenyl)-2-[4-[(2-methoxy-5-methylphenyl)carbamoyl]piperidin-1-yl]pyridine-4-carboxamide
CID 46360832
ethyl 4-[4-[(2-methoxyphenyl)carbamoyl]-2-pyridinyl]piperazine-1-carboxylate
CID 109174336
N-[(3-methoxyphenyl)methyl]-1-methylpiperidine-4-carboxamide
CID 70985796
1-(6-benzylsulfanylpyridazin-3-yl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 50768357
N-[(3-methoxyphenyl)methyl]-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-4-carboxamide
CID 50781083
N-(2-phenoxyphenyl)-2-pyrrolidin-1-ylpyridine-4-carboxamide
CID 109166024

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-[4-[(3-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]pyridine-4-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-2-[4-[(3-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]pyridine-4-carboxamide (CID 46360662) is N-(2-methoxyphenyl)-2-[4-[(3-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-[4-[(3-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]pyridine-4-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-[4-[(3-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]pyridine-4-carboxamide is COc1cccc(CNC(=O)C2CCN(c3cc(C(=O)Nc4ccccc4OC)ccn3)CC2)c1.
What is the InChIKey of N-(2-methoxyphenyl)-2-[4-[(3-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]pyridine-4-carboxamide?
The InChIKey is PRGXWFOUFFSCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O4/c1-34-22-7-5-6-19(16-22)18-29-26(32)20-11-14-31(15-12-20)25-17-21(10-13-28-25)27(33)30-23-8-3-4-9-24(23)35-2/h3-10,13,16-17,20H,11-12,14-15,18H2,1-2H3,(H,29,32)(H,30,33).
What are the key properties of N-(2-methoxyphenyl)-2-[4-[(3-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]pyridine-4-carboxamide?
N-(2-methoxyphenyl)-2-[4-[(3-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]pyridine-4-carboxamide has a molecular weight of 474.56 g/mol, XLogP of 3.88, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-[4-[(3-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]pyridine-4-carboxamide is sourced from PubChem (CID 46360662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).