N-[(1R,2S)-2-(4-methylpiperidine-1-carbonyl)cyclopentyl]pyridine-4-carboxamide

C18H25N3O2 — CID 91925633

IUPACN-[(1R,2S)-2-(4-methylpiperidine-1-carbonyl)cyclopentyl]pyridine-4-carboxamide
SMILESCC1CCN(C(=O)[C@H]2CCC[C@H]2NC(=O)c2ccncc2)CC1
InChIInChI=1S/C18H25N3O2/c1-13-7-11-21(12-8-13)18(23)15-3-2-4-16(15)20-17(22)14-5-9-19-10-6-14/h5-6,9-10,13,15-16H,2-4,7-8,11-12H2,1H3,(H,20,22)/t15-,16+/m0/s1
InChIKeyYCEIZHJVBAQDCL-JKSUJKDBSA-N
MW315.42 g/mol
LogP2.24
Rot. Bonds3

About N-[(1R,2S)-2-(4-methylpiperidine-1-carbonyl)cyclopentyl]pyridine-4-carboxamide

N-[(1R,2S)-2-(4-methylpiperidine-1-carbonyl)cyclopentyl]pyridine-4-carboxamide (PubChem CID 91925633) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[(1R,2S)-2-(4-methylpiperidine-1-carbonyl)cyclopentyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-(4-methylpiperidine-1-carbonyl)cyclopentyl]pyridine-4-carboxamide
PubChem CID91925633
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-[(1R,2S)-2-(4-methylpiperidine-1-carbonyl)cyclopentyl]pyridine-4-carboxamide
SMILESCC1CCN(C(=O)[C@H]2CCC[C@H]2NC(=O)c2ccncc2)CC1
InChIInChI=1S/C18H25N3O2/c1-13-7-11-21(12-8-13)18(23)15-3-2-4-16(15)20-17(22)14-5-9-19-10-6-14/h5-6,9-10,13,15-16H,2-4,7-8,11-12H2,1H3,(H,20,22)/t15-,16+/m0/s1
InChIKeyYCEIZHJVBAQDCL-JKSUJKDBSA-N
XLogP2.24
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylcyclohexyl)pyridine-4-carboxamide
CID 24819408
N-[2-(morpholine-4-carbonyl)cyclohexyl]benzamide
CID 154704792
N-[2-(hydroxymethyl)cyclopentyl]pyridine-4-carboxamide
CID 103751246
2-benzamidocyclopentane-1-carboxylic acid
CID 64812220
N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]pyridine-4-carboxamide
CID 110125810
N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyridine-4-carboxamide
CID 110821209
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]pyridine-4-carboxamide
CID 110125491
4-(4-methylpiperidine-1-carbonyl)-N-(pyridin-4-ylmethyl)benzamide
CID 109044877
N-[(1R,2S)-2-(2-phenylethylcarbamoyl)cyclopentyl]pyridine-4-carboxamide
CID 91913012
6-methoxy-N-[(1R,2S)-2-(4-propan-2-ylpiperazine-1-carbonyl)cyclopentyl]pyridine-3-carboxamide
CID 91912962
N-[(1S,2S,4aS,7S,8S,8aS)-8-hydroxy-1,4a-dimethyl-7-[(2S)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]pyridine-4-carboxamide
CID 28962990
2-(pyridine-3-carbonylamino)cycloheptane-1-carboxylic acid
CID 75356428

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-(4-methylpiperidine-1-carbonyl)cyclopentyl]pyridine-4-carboxamide?
The IUPAC name of N-[(1R,2S)-2-(4-methylpiperidine-1-carbonyl)cyclopentyl]pyridine-4-carboxamide (CID 91925633) is N-[(1R,2S)-2-(4-methylpiperidine-1-carbonyl)cyclopentyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(1R,2S)-2-(4-methylpiperidine-1-carbonyl)cyclopentyl]pyridine-4-carboxamide?
The canonical SMILES for N-[(1R,2S)-2-(4-methylpiperidine-1-carbonyl)cyclopentyl]pyridine-4-carboxamide is CC1CCN(C(=O)[C@H]2CCC[C@H]2NC(=O)c2ccncc2)CC1.
What is the InChIKey of N-[(1R,2S)-2-(4-methylpiperidine-1-carbonyl)cyclopentyl]pyridine-4-carboxamide?
The InChIKey is YCEIZHJVBAQDCL-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-13-7-11-21(12-8-13)18(23)15-3-2-4-16(15)20-17(22)14-5-9-19-10-6-14/h5-6,9-10,13,15-16H,2-4,7-8,11-12H2,1H3,(H,20,22)/t15-,16+/m0/s1.
What are the key properties of N-[(1R,2S)-2-(4-methylpiperidine-1-carbonyl)cyclopentyl]pyridine-4-carboxamide?
N-[(1R,2S)-2-(4-methylpiperidine-1-carbonyl)cyclopentyl]pyridine-4-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-(4-methylpiperidine-1-carbonyl)cyclopentyl]pyridine-4-carboxamide is sourced from PubChem (CID 91925633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).