2-[4-[(2-ethylphenyl)carbamoyl]piperidin-1-yl]-N-(2-methoxyphenyl)pyridine-4-carboxamide

C27H30N4O3 — CID 46360651

IUPAC2-[4-[(2-ethylphenyl)carbamoyl]piperidin-1-yl]-N-(2-methoxyphenyl)pyridine-4-carboxamide
SMILESCCc1ccccc1NC(=O)C1CCN(c2cc(C(=O)Nc3ccccc3OC)ccn2)CC1
InChIInChI=1S/C27H30N4O3/c1-3-19-8-4-5-9-22(19)29-26(32)20-13-16-31(17-14-20)25-18-21(12-15-28-25)27(33)30-23-10-6-7-11-24(23)34-2/h4-12,15,18,20H,3,13-14,16-17H2,1-2H3,(H,29,32)(H,30,33)
InChIKeyQCIGLKCNPVVATP-UHFFFAOYSA-N
MW458.56 g/mol
LogP4.76
Rot. Bonds7

About 2-[4-[(2-ethylphenyl)carbamoyl]piperidin-1-yl]-N-(2-methoxyphenyl)pyridine-4-carboxamide

2-[4-[(2-ethylphenyl)carbamoyl]piperidin-1-yl]-N-(2-methoxyphenyl)pyridine-4-carboxamide (PubChem CID 46360651) has the molecular formula C27H30N4O3 and a molecular weight of 458.56 g/mol. Its IUPAC name is 2-[4-[(2-ethylphenyl)carbamoyl]piperidin-1-yl]-N-(2-methoxyphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[4-[(2-ethylphenyl)carbamoyl]piperidin-1-yl]-N-(2-methoxyphenyl)pyridine-4-carboxamide
PubChem CID46360651
Molecular FormulaC27H30N4O3
Molecular Weight458.56 g/mol
Exact Mass458.23
IUPAC Name2-[4-[(2-ethylphenyl)carbamoyl]piperidin-1-yl]-N-(2-methoxyphenyl)pyridine-4-carboxamide
SMILESCCc1ccccc1NC(=O)C1CCN(c2cc(C(=O)Nc3ccccc3OC)ccn2)CC1
InChIInChI=1S/C27H30N4O3/c1-3-19-8-4-5-9-22(19)29-26(32)20-13-16-31(17-14-20)25-18-21(12-15-28-25)27(33)30-23-10-6-7-11-24(23)34-2/h4-12,15,18,20H,3,13-14,16-17H2,1-2H3,(H,29,32)(H,30,33)
InChIKeyQCIGLKCNPVVATP-UHFFFAOYSA-N
XLogP4.76
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(4-fluorophenyl)carbamoyl]piperidin-1-yl]-N-(2-methoxyphenyl)pyridine-4-carboxamide
CID 46360654
N-(2-methoxyphenyl)-2-[4-[(3-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]pyridine-4-carboxamide
CID 46360662
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
1-[2-(4-fluorophenyl)pyrimidin-4-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 53078019
2-[4-[(4-ethoxyphenyl)carbamoyl]piperidin-1-yl]-N-(2-fluorophenyl)pyridine-4-carboxamide
CID 46360822
2-[4-[(3,4-dimethoxyphenyl)carbamoyl]piperidin-1-yl]-N-(3-methoxyphenyl)pyridine-4-carboxamide
CID 46360787
N-(2-ethylphenyl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90520046
2-[4-[(3,4-dimethylphenyl)carbamoyl]piperidin-1-yl]-N-(3-methoxyphenyl)pyridine-4-carboxamide
CID 46360796
N-(2-ethylphenyl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90600331
N-(2-methoxyphenyl)-1-pyridin-4-ylpiperidine-4-carboxamide
CID 46384770
N-(2-methoxyphenyl)-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95104934

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-ethylphenyl)carbamoyl]piperidin-1-yl]-N-(2-methoxyphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-[4-[(2-ethylphenyl)carbamoyl]piperidin-1-yl]-N-(2-methoxyphenyl)pyridine-4-carboxamide (CID 46360651) is 2-[4-[(2-ethylphenyl)carbamoyl]piperidin-1-yl]-N-(2-methoxyphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-[4-[(2-ethylphenyl)carbamoyl]piperidin-1-yl]-N-(2-methoxyphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-[4-[(2-ethylphenyl)carbamoyl]piperidin-1-yl]-N-(2-methoxyphenyl)pyridine-4-carboxamide is CCc1ccccc1NC(=O)C1CCN(c2cc(C(=O)Nc3ccccc3OC)ccn2)CC1.
What is the InChIKey of 2-[4-[(2-ethylphenyl)carbamoyl]piperidin-1-yl]-N-(2-methoxyphenyl)pyridine-4-carboxamide?
The InChIKey is QCIGLKCNPVVATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O3/c1-3-19-8-4-5-9-22(19)29-26(32)20-13-16-31(17-14-20)25-18-21(12-15-28-25)27(33)30-23-10-6-7-11-24(23)34-2/h4-12,15,18,20H,3,13-14,16-17H2,1-2H3,(H,29,32)(H,30,33).
What are the key properties of 2-[4-[(2-ethylphenyl)carbamoyl]piperidin-1-yl]-N-(2-methoxyphenyl)pyridine-4-carboxamide?
2-[4-[(2-ethylphenyl)carbamoyl]piperidin-1-yl]-N-(2-methoxyphenyl)pyridine-4-carboxamide has a molecular weight of 458.56 g/mol, XLogP of 4.76, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-ethylphenyl)carbamoyl]piperidin-1-yl]-N-(2-methoxyphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 46360651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).