N-(6-amino-3-pyridinyl)-1-benzoylpiperidine-3-carboxamide

C18H20N4O2 — CID 119516397

IUPACN-(6-amino-3-pyridinyl)-1-benzoylpiperidine-3-carboxamide
SMILESNc1ccc(NC(=O)C2CCCN(C(=O)c3ccccc3)C2)cn1
InChIInChI=1S/C18H20N4O2/c19-16-9-8-15(11-20-16)21-17(23)14-7-4-10-22(12-14)18(24)13-5-2-1-3-6-13/h1-3,5-6,8-9,11,14H,4,7,10,12H2,(H2,19,20)(H,21,23)
InChIKeyOWHXRCUTODHRER-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.15
Rot. Bonds3

About N-(6-amino-3-pyridinyl)-1-benzoylpiperidine-3-carboxamide

N-(6-amino-3-pyridinyl)-1-benzoylpiperidine-3-carboxamide (PubChem CID 119516397) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-(6-amino-3-pyridinyl)-1-benzoylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(6-amino-3-pyridinyl)-1-benzoylpiperidine-3-carboxamide
PubChem CID119516397
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC NameN-(6-amino-3-pyridinyl)-1-benzoylpiperidine-3-carboxamide
SMILESNc1ccc(NC(=O)C2CCCN(C(=O)c3ccccc3)C2)cn1
InChIInChI=1S/C18H20N4O2/c19-16-9-8-15(11-20-16)21-17(23)14-7-4-10-22(12-14)18(24)13-5-2-1-3-6-13/h1-3,5-6,8-9,11,14H,4,7,10,12H2,(H2,19,20)(H,21,23)
InChIKeyOWHXRCUTODHRER-UHFFFAOYSA-N
XLogP2.15
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-amino-3-pyridinyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide
CID 119515373
N-(6-amino-3-pyridinyl)-1-benzoylpiperidine-4-carboxamide;hydrochloride
CID 119516000
1-(6-methylpyridine-3-carbonyl)-N-phenylpiperidine-3-carboxamide
CID 18149048
(3S)-1-(4-chlorobenzoyl)-N-(4-phenylphenyl)piperidine-3-carboxamide
CID 2542955
1-benzoyl-N-(3-tert-butylphenyl)piperidine-3-carboxamide
CID 121381993
N-(6-amino-3-pyridinyl)-1-benzoyl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide;hydrochloride
CID 119515719
1-(3-chlorobenzoyl)-N-phenylpiperidine-3-carboxamide
CID 17394642
1-(4-cyanobenzoyl)-N-phenylpiperidine-3-carboxamide
CID 46657993
1-(3,5-dimethylbenzoyl)-N-(6-piperidin-1-yl-3-pyridinyl)piperidine-3-carboxamide
CID 138996186
(3R)-1-(2-benzoylbenzoyl)-N-phenylpiperidine-3-carboxamide
CID 26049540
(3S)-N-(2-tert-butylpyrimidin-5-yl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 95233341
N-(2H-benzotriazol-5-yl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 166220457

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-3-pyridinyl)-1-benzoylpiperidine-3-carboxamide?
The IUPAC name of N-(6-amino-3-pyridinyl)-1-benzoylpiperidine-3-carboxamide (CID 119516397) is N-(6-amino-3-pyridinyl)-1-benzoylpiperidine-3-carboxamide.
What is the SMILES notation for N-(6-amino-3-pyridinyl)-1-benzoylpiperidine-3-carboxamide?
The canonical SMILES for N-(6-amino-3-pyridinyl)-1-benzoylpiperidine-3-carboxamide is Nc1ccc(NC(=O)C2CCCN(C(=O)c3ccccc3)C2)cn1.
What is the InChIKey of N-(6-amino-3-pyridinyl)-1-benzoylpiperidine-3-carboxamide?
The InChIKey is OWHXRCUTODHRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c19-16-9-8-15(11-20-16)21-17(23)14-7-4-10-22(12-14)18(24)13-5-2-1-3-6-13/h1-3,5-6,8-9,11,14H,4,7,10,12H2,(H2,19,20)(H,21,23).
What are the key properties of N-(6-amino-3-pyridinyl)-1-benzoylpiperidine-3-carboxamide?
N-(6-amino-3-pyridinyl)-1-benzoylpiperidine-3-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-3-pyridinyl)-1-benzoylpiperidine-3-carboxamide is sourced from PubChem (CID 119516397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).