N-[(1R,2S)-2-[methyl(2-pyridin-2-ylethyl)carbamoyl]cyclopentyl]pyridine-4-carboxamide

C20H24N4O2 — CID 91925628

IUPACN-[(1R,2S)-2-[methyl(2-pyridin-2-ylethyl)carbamoyl]cyclopentyl]pyridine-4-carboxamide
SMILESCN(CCc1ccccn1)C(=O)[C@H]1CCC[C@H]1NC(=O)c1ccncc1
InChIInChI=1S/C20H24N4O2/c1-24(14-10-16-5-2-3-11-22-16)20(26)17-6-4-7-18(17)23-19(25)15-8-12-21-13-9-15/h2-3,5,8-9,11-13,17-18H,4,6-7,10,14H2,1H3,(H,23,25)/t17-,18+/m0/s1
InChIKeySGTDMTMAWUXXNR-ZWKOTPCHSA-N
MW352.44 g/mol
LogP2.08
Rot. Bonds6

About N-[(1R,2S)-2-[methyl(2-pyridin-2-ylethyl)carbamoyl]cyclopentyl]pyridine-4-carboxamide

N-[(1R,2S)-2-[methyl(2-pyridin-2-ylethyl)carbamoyl]cyclopentyl]pyridine-4-carboxamide (PubChem CID 91925628) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is N-[(1R,2S)-2-[methyl(2-pyridin-2-ylethyl)carbamoyl]cyclopentyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-[methyl(2-pyridin-2-ylethyl)carbamoyl]cyclopentyl]pyridine-4-carboxamide
PubChem CID91925628
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC NameN-[(1R,2S)-2-[methyl(2-pyridin-2-ylethyl)carbamoyl]cyclopentyl]pyridine-4-carboxamide
SMILESCN(CCc1ccccn1)C(=O)[C@H]1CCC[C@H]1NC(=O)c1ccncc1
InChIInChI=1S/C20H24N4O2/c1-24(14-10-16-5-2-3-11-22-16)20(26)17-6-4-7-18(17)23-19(25)15-8-12-21-13-9-15/h2-3,5,8-9,11-13,17-18H,4,6-7,10,14H2,1H3,(H,23,25)/t17-,18+/m0/s1
InChIKeySGTDMTMAWUXXNR-ZWKOTPCHSA-N
XLogP2.08
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-4-(methylamino)-N-(2-pyridin-2-ylethyl)oxolane-3-carboxamide
CID 66267541
N-[(1R,2S)-2-(2-phenylethylcarbamoyl)cyclopentyl]pyridine-4-carboxamide
CID 91913012
N-(2-methylcyclohexyl)pyridine-4-carboxamide
CID 24819408
N-[2-(hydroxymethyl)cyclopentyl]pyridine-4-carboxamide
CID 103751246
ethane;N-methyl-N-(2-pyridin-2-ylethyl)acetamide
CID 143678158
2-benzamidocyclopentane-1-carboxylic acid
CID 64812220
2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoacetic acid
CID 43445021
cis-(1R,2S)-2-(2,4-difluorophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)cyclopropane-1-carboxamide
CID 95625451
N-[(1R,2S)-2-(4-methylpiperidine-1-carbonyl)cyclopentyl]pyridine-4-carboxamide
CID 91925633
3-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
CID 115646430
1-[methyl(2-pyridin-2-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61195359
3-methyl-1-[methyl(2-pyridin-2-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 102781714

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-[methyl(2-pyridin-2-ylethyl)carbamoyl]cyclopentyl]pyridine-4-carboxamide?
The IUPAC name of N-[(1R,2S)-2-[methyl(2-pyridin-2-ylethyl)carbamoyl]cyclopentyl]pyridine-4-carboxamide (CID 91925628) is N-[(1R,2S)-2-[methyl(2-pyridin-2-ylethyl)carbamoyl]cyclopentyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(1R,2S)-2-[methyl(2-pyridin-2-ylethyl)carbamoyl]cyclopentyl]pyridine-4-carboxamide?
The canonical SMILES for N-[(1R,2S)-2-[methyl(2-pyridin-2-ylethyl)carbamoyl]cyclopentyl]pyridine-4-carboxamide is CN(CCc1ccccn1)C(=O)[C@H]1CCC[C@H]1NC(=O)c1ccncc1.
What is the InChIKey of N-[(1R,2S)-2-[methyl(2-pyridin-2-ylethyl)carbamoyl]cyclopentyl]pyridine-4-carboxamide?
The InChIKey is SGTDMTMAWUXXNR-ZWKOTPCHSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-24(14-10-16-5-2-3-11-22-16)20(26)17-6-4-7-18(17)23-19(25)15-8-12-21-13-9-15/h2-3,5,8-9,11-13,17-18H,4,6-7,10,14H2,1H3,(H,23,25)/t17-,18+/m0/s1.
What are the key properties of N-[(1R,2S)-2-[methyl(2-pyridin-2-ylethyl)carbamoyl]cyclopentyl]pyridine-4-carboxamide?
N-[(1R,2S)-2-[methyl(2-pyridin-2-ylethyl)carbamoyl]cyclopentyl]pyridine-4-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-[methyl(2-pyridin-2-ylethyl)carbamoyl]cyclopentyl]pyridine-4-carboxamide is sourced from PubChem (CID 91925628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).