6-[4-[(3R)-3-acetamidopiperidine-1-carbonyl]phenyl]pyridine-3-carboxamide

C20H22N4O3 — CID 126446174

IUPAC6-[4-[(3R)-3-acetamidopiperidine-1-carbonyl]phenyl]pyridine-3-carboxamide
SMILESCC(=O)N[C@@H]1CCCN(C(=O)c2ccc(-c3ccc(C(N)=O)cn3)cc2)C1
InChIInChI=1S/C20H22N4O3/c1-13(25)23-17-3-2-10-24(12-17)20(27)15-6-4-14(5-7-15)18-9-8-16(11-22-18)19(21)26/h4-9,11,17H,2-3,10,12H2,1H3,(H2,21,26)(H,23,25)/t17-/m1/s1
InChIKeyXSDRLXYGWPJBAC-QGZVFWFLSA-N
MW366.42 g/mol
LogP1.59
Rot. Bonds4

About 6-[4-[(3R)-3-acetamidopiperidine-1-carbonyl]phenyl]pyridine-3-carboxamide

6-[4-[(3R)-3-acetamidopiperidine-1-carbonyl]phenyl]pyridine-3-carboxamide (PubChem CID 126446174) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 6-[4-[(3R)-3-acetamidopiperidine-1-carbonyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[(3R)-3-acetamidopiperidine-1-carbonyl]phenyl]pyridine-3-carboxamide
PubChem CID126446174
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name6-[4-[(3R)-3-acetamidopiperidine-1-carbonyl]phenyl]pyridine-3-carboxamide
SMILESCC(=O)N[C@@H]1CCCN(C(=O)c2ccc(-c3ccc(C(N)=O)cn3)cc2)C1
InChIInChI=1S/C20H22N4O3/c1-13(25)23-17-3-2-10-24(12-17)20(27)15-6-4-14(5-7-15)18-9-8-16(11-22-18)19(21)26/h4-9,11,17H,2-3,10,12H2,1H3,(H2,21,26)(H,23,25)/t17-/m1/s1
InChIKeyXSDRLXYGWPJBAC-QGZVFWFLSA-N
XLogP1.59
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S)-1-(4-pyrimidin-2-ylbenzoyl)piperidin-3-yl]acetamide
CID 126424676
4-(3-acetamidopiperidine-1-carbonyl)benzoic acid
CID 126774407
N-[(3R)-1-[4-(2-propan-2-yl-1,3-thiazol-5-yl)benzoyl]pyrrolidin-3-yl]acetamide
CID 125442665
N-[1-(3,4-difluorobenzoyl)piperidin-3-yl]acetamide
CID 47250997
5-[3-(methylamino)piperidine-1-carbonyl]pyridine-2-carboxamide;hydrochloride
CID 119493800
(3-methylpiperidin-1-yl)-(6-phenyl-3-pyridinyl)methanone
CID 110683661
N-[(3S)-1-[4-[ethyl(propan-2-yl)amino]benzoyl]piperidin-3-yl]acetamide
CID 95290096
N-[(3R)-1-[4-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)benzoyl]piperidin-3-yl]acetamide
CID 125440109
N-[(3S)-1-[4-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)benzoyl]piperidin-3-yl]acetamide
CID 125440110
N-[1-(5-iodothiophene-3-carbonyl)piperidin-3-yl]acetamide
CID 78948823
1-N-[(3R)-1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]piperidine-1,3-dicarboxamide
CID 154456800
N-[1-(6-chloropyridazine-3-carbonyl)piperidin-3-yl]acetamide
CID 61051093

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(3R)-3-acetamidopiperidine-1-carbonyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-[4-[(3R)-3-acetamidopiperidine-1-carbonyl]phenyl]pyridine-3-carboxamide (CID 126446174) is 6-[4-[(3R)-3-acetamidopiperidine-1-carbonyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-[(3R)-3-acetamidopiperidine-1-carbonyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-[4-[(3R)-3-acetamidopiperidine-1-carbonyl]phenyl]pyridine-3-carboxamide is CC(=O)N[C@@H]1CCCN(C(=O)c2ccc(-c3ccc(C(N)=O)cn3)cc2)C1.
What is the InChIKey of 6-[4-[(3R)-3-acetamidopiperidine-1-carbonyl]phenyl]pyridine-3-carboxamide?
The InChIKey is XSDRLXYGWPJBAC-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-13(25)23-17-3-2-10-24(12-17)20(27)15-6-4-14(5-7-15)18-9-8-16(11-22-18)19(21)26/h4-9,11,17H,2-3,10,12H2,1H3,(H2,21,26)(H,23,25)/t17-/m1/s1.
What are the key properties of 6-[4-[(3R)-3-acetamidopiperidine-1-carbonyl]phenyl]pyridine-3-carboxamide?
6-[4-[(3R)-3-acetamidopiperidine-1-carbonyl]phenyl]pyridine-3-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(3R)-3-acetamidopiperidine-1-carbonyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 126446174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).