N-[(1-acetylpiperidin-4-yl)methyl]-6-phenyl-2-(2-pyridin-2-ylethylamino)pyridine-3-carboxamide

C27H31N5O2 — CID 25031964

IUPACN-[(1-acetylpiperidin-4-yl)methyl]-6-phenyl-2-(2-pyridin-2-ylethylamino)pyridine-3-carboxamide
SMILESCC(=O)N1CCC(CNC(=O)c2ccc(-c3ccccc3)nc2NCCc2ccccn2)CC1
InChIInChI=1S/C27H31N5O2/c1-20(33)32-17-13-21(14-18-32)19-30-27(34)24-10-11-25(22-7-3-2-4-8-22)31-26(24)29-16-12-23-9-5-6-15-28-23/h2-11,15,21H,12-14,16-19H2,1H3,(H,29,31)(H,30,34)
InChIKeyNRPQQIVOVVBUEZ-UHFFFAOYSA-N
MW457.58 g/mol
LogP3.79
Rot. Bonds8

About N-[(1-acetylpiperidin-4-yl)methyl]-6-phenyl-2-(2-pyridin-2-ylethylamino)pyridine-3-carboxamide

N-[(1-acetylpiperidin-4-yl)methyl]-6-phenyl-2-(2-pyridin-2-ylethylamino)pyridine-3-carboxamide (PubChem CID 25031964) has the molecular formula C27H31N5O2 and a molecular weight of 457.58 g/mol. Its IUPAC name is N-[(1-acetylpiperidin-4-yl)methyl]-6-phenyl-2-(2-pyridin-2-ylethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-acetylpiperidin-4-yl)methyl]-6-phenyl-2-(2-pyridin-2-ylethylamino)pyridine-3-carboxamide
PubChem CID25031964
Molecular FormulaC27H31N5O2
Molecular Weight457.58 g/mol
Exact Mass457.25
IUPAC NameN-[(1-acetylpiperidin-4-yl)methyl]-6-phenyl-2-(2-pyridin-2-ylethylamino)pyridine-3-carboxamide
SMILESCC(=O)N1CCC(CNC(=O)c2ccc(-c3ccccc3)nc2NCCc2ccccn2)CC1
InChIInChI=1S/C27H31N5O2/c1-20(33)32-17-13-21(14-18-32)19-30-27(34)24-10-11-25(22-7-3-2-4-8-22)31-26(24)29-16-12-23-9-5-6-15-28-23/h2-11,15,21H,12-14,16-19H2,1H3,(H,29,31)(H,30,34)
InChIKeyNRPQQIVOVVBUEZ-UHFFFAOYSA-N
XLogP3.79
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.58
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-phenyl-2-(2-pyridin-2-ylethylamino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 25031781
2-(cyclopropylmethylamino)-N-(2-methoxyethyl)-6-phenylpyridine-3-carboxamide
CID 126474109
N-[(1-acetylpiperidin-4-yl)methyl]-2-methylbenzamide
CID 110736135
tert-butyl 4-[[(2-pyridin-2-ylacetyl)amino]methyl]piperidine-1-carboxylate
CID 139805130
N-[(1-acetylpiperidin-4-yl)methyl]-2-aminobenzamide;hydrochloride
CID 119945298
N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16896080
1-[(2S)-2-[2-methyl-6-(2-pyridin-2-ylethylamino)pyrimidin-4-yl]morpholin-4-yl]ethanone
CID 95846964
N-[(1-acetylpiperidin-4-yl)methyl]-2,3,4-trifluorobenzamide
CID 110736173
2-methyl-3-oxo-3-(2-pyridin-2-ylethylamino)propanoic acid
CID 114897299
2-(2-pyridin-2-ylethylcarbamoyl)benzoic acid
CID 43396615
N-(cyclopentylmethyl)-2-(propylamino)pyridine-3-carboxamide
CID 62168476
tert-butyl 4-[[[ethylamino-(2-pyridin-2-ylethylamino)methylidene]amino]methyl]piperidine-1-carboxylate
CID 111194456

Frequently Asked Questions

What is the IUPAC name of N-[(1-acetylpiperidin-4-yl)methyl]-6-phenyl-2-(2-pyridin-2-ylethylamino)pyridine-3-carboxamide?
The IUPAC name of N-[(1-acetylpiperidin-4-yl)methyl]-6-phenyl-2-(2-pyridin-2-ylethylamino)pyridine-3-carboxamide (CID 25031964) is N-[(1-acetylpiperidin-4-yl)methyl]-6-phenyl-2-(2-pyridin-2-ylethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[(1-acetylpiperidin-4-yl)methyl]-6-phenyl-2-(2-pyridin-2-ylethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[(1-acetylpiperidin-4-yl)methyl]-6-phenyl-2-(2-pyridin-2-ylethylamino)pyridine-3-carboxamide is CC(=O)N1CCC(CNC(=O)c2ccc(-c3ccccc3)nc2NCCc2ccccn2)CC1.
What is the InChIKey of N-[(1-acetylpiperidin-4-yl)methyl]-6-phenyl-2-(2-pyridin-2-ylethylamino)pyridine-3-carboxamide?
The InChIKey is NRPQQIVOVVBUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O2/c1-20(33)32-17-13-21(14-18-32)19-30-27(34)24-10-11-25(22-7-3-2-4-8-22)31-26(24)29-16-12-23-9-5-6-15-28-23/h2-11,15,21H,12-14,16-19H2,1H3,(H,29,31)(H,30,34).
What are the key properties of N-[(1-acetylpiperidin-4-yl)methyl]-6-phenyl-2-(2-pyridin-2-ylethylamino)pyridine-3-carboxamide?
N-[(1-acetylpiperidin-4-yl)methyl]-6-phenyl-2-(2-pyridin-2-ylethylamino)pyridine-3-carboxamide has a molecular weight of 457.58 g/mol, XLogP of 3.79, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-acetylpiperidin-4-yl)methyl]-6-phenyl-2-(2-pyridin-2-ylethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 25031964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).