N-cyclohexyl-N-methyl-2-pyrrolidin-1-ylpyridine-4-carboxamide

C17H25N3O — CID 84574966

IUPACN-cyclohexyl-N-methyl-2-pyrrolidin-1-ylpyridine-4-carboxamide
SMILESCN(C(=O)c1ccnc(N2CCCC2)c1)C1CCCCC1
InChIInChI=1S/C17H25N3O/c1-19(15-7-3-2-4-8-15)17(21)14-9-10-18-16(13-14)20-11-5-6-12-20/h9-10,13,15H,2-8,11-12H2,1H3
InChIKeyLXSBZHIGBULJLC-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.09
Rot. Bonds3

About N-cyclohexyl-N-methyl-2-pyrrolidin-1-ylpyridine-4-carboxamide

N-cyclohexyl-N-methyl-2-pyrrolidin-1-ylpyridine-4-carboxamide (PubChem CID 84574966) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-2-pyrrolidin-1-ylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-2-pyrrolidin-1-ylpyridine-4-carboxamide
PubChem CID84574966
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-cyclohexyl-N-methyl-2-pyrrolidin-1-ylpyridine-4-carboxamide
SMILESCN(C(=O)c1ccnc(N2CCCC2)c1)C1CCCCC1
InChIInChI=1S/C17H25N3O/c1-19(15-7-3-2-4-8-15)17(21)14-9-10-18-16(13-14)20-11-5-6-12-20/h9-10,13,15H,2-8,11-12H2,1H3
InChIKeyLXSBZHIGBULJLC-UHFFFAOYSA-N
XLogP3.09
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[cyclohexyl(methyl)carbamoyl]pyridine-2-carboxylic acid
CID 112700598
N-cyclohexyl-N-methyl-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
CID 53035078
2-(azepan-1-yl)-N-(2-hydroxyethyl)-N-methylpyridine-4-carboxamide
CID 84574689
2-(aminomethyl)-N-cyclohexyl-N-methylpyridine-4-carboxamide
CID 86223211
(2-methylpiperidin-1-yl)-(2-pyrrolidin-1-yl-4-pyridinyl)methanone
CID 84574688
2-(azepan-1-yl)-N-ethyl-N-(2-hydroxyethyl)pyridine-4-carboxamide
CID 84574449
N-(1,1-dioxothiolan-3-yl)-2-(4-ethylpiperazin-1-yl)-N-methylpyridine-4-carboxamide
CID 109168738
2-bromo-N-cyclopropyl-N-methylpyridine-4-carboxamide
CID 103752625
N-cyclohexyl-N-methyl-3-(6-morpholin-4-ylpyridazin-3-yl)benzamide
CID 50815959
[(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-(2-pyrrolidin-1-yl-4-pyridinyl)methanone
CID 110108021
2-(hydroxymethyl)-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide
CID 115116082
4-chloro-N-cyclohexyl-N-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 27670624

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-2-pyrrolidin-1-ylpyridine-4-carboxamide?
The IUPAC name of N-cyclohexyl-N-methyl-2-pyrrolidin-1-ylpyridine-4-carboxamide (CID 84574966) is N-cyclohexyl-N-methyl-2-pyrrolidin-1-ylpyridine-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-2-pyrrolidin-1-ylpyridine-4-carboxamide?
The canonical SMILES for N-cyclohexyl-N-methyl-2-pyrrolidin-1-ylpyridine-4-carboxamide is CN(C(=O)c1ccnc(N2CCCC2)c1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-methyl-2-pyrrolidin-1-ylpyridine-4-carboxamide?
The InChIKey is LXSBZHIGBULJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-19(15-7-3-2-4-8-15)17(21)14-9-10-18-16(13-14)20-11-5-6-12-20/h9-10,13,15H,2-8,11-12H2,1H3.
What are the key properties of N-cyclohexyl-N-methyl-2-pyrrolidin-1-ylpyridine-4-carboxamide?
N-cyclohexyl-N-methyl-2-pyrrolidin-1-ylpyridine-4-carboxamide has a molecular weight of 287.41 g/mol, XLogP of 3.09, 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-2-pyrrolidin-1-ylpyridine-4-carboxamide is sourced from PubChem (CID 84574966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).