N-cyclohexyl-N-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyridine-2-carboxamide

C18H27N3O — CID 95846829

IUPACN-cyclohexyl-N-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyridine-2-carboxamide
SMILESCN(C(=O)c1cc([C@@H]2CCCN2C)ccn1)C1CCCCC1
InChIInChI=1S/C18H27N3O/c1-20-12-6-9-17(20)14-10-11-19-16(13-14)18(22)21(2)15-7-4-3-5-8-15/h10-11,13,15,17H,3-9,12H2,1-2H3/t17-/m0/s1
InChIKeyLXBWGPYTBPGOBO-KRWDZBQOSA-N
MW301.43 g/mol
LogP3.25
Rot. Bonds3

About N-cyclohexyl-N-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyridine-2-carboxamide

N-cyclohexyl-N-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyridine-2-carboxamide (PubChem CID 95846829) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyridine-2-carboxamide
PubChem CID95846829
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC NameN-cyclohexyl-N-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyridine-2-carboxamide
SMILESCN(C(=O)c1cc([C@@H]2CCCN2C)ccn1)C1CCCCC1
InChIInChI=1S/C18H27N3O/c1-20-12-6-9-17(20)14-10-11-19-16(13-14)18(22)21(2)15-7-4-3-5-8-15/h10-11,13,15,17H,3-9,12H2,1-2H3/t17-/m0/s1
InChIKeyLXBWGPYTBPGOBO-KRWDZBQOSA-N
XLogP3.25
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-4-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylpyridine-2-carboxamide
CID 56912622
N-cyclohexyl-N-methyl-4-(4-propylpiperazin-1-yl)pyridine-2-carboxamide
CID 56899547
N-cycloheptyl-4-hydrazinyl-N-methylpyridine-2-carboxamide
CID 62236519
4-[cyclohexyl(methyl)carbamoyl]pyridine-2-carboxylic acid
CID 112700598
4-[(2R)-1-methylpyrrolidin-2-yl]-N-(5-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 124995094
N-methyl-4-(methylamino)-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide
CID 55042558
N-cyclobutyl-N-methylpyridine-2-carboxamide
CID 126857014
N-cyclohexyl-N-methyl-2-pyrrolidin-1-ylpyridine-4-carboxamide
CID 84574966
tert-butyl N-cyclobutyl-N-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]carbamate
CID 102541179
1-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]ethanone
CID 66713611
2-(aminomethyl)-N-cyclohexyl-N-methylpyridine-4-carboxamide
CID 86223211
N-cycloheptyl-N-methyl-1,3-thiazole-4-carboxamide
CID 63037212

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyridine-2-carboxamide?
The IUPAC name of N-cyclohexyl-N-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyridine-2-carboxamide (CID 95846829) is N-cyclohexyl-N-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyridine-2-carboxamide?
The canonical SMILES for N-cyclohexyl-N-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyridine-2-carboxamide is CN(C(=O)c1cc([C@@H]2CCCN2C)ccn1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyridine-2-carboxamide?
The InChIKey is LXBWGPYTBPGOBO-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H27N3O/c1-20-12-6-9-17(20)14-10-11-19-16(13-14)18(22)21(2)15-7-4-3-5-8-15/h10-11,13,15,17H,3-9,12H2,1-2H3/t17-/m0/s1.
What are the key properties of N-cyclohexyl-N-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyridine-2-carboxamide?
N-cyclohexyl-N-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyridine-2-carboxamide has a molecular weight of 301.43 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 95846829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).