N-(cyclohexylmethyl)-N-methyl-4-(propylamino)pyridine-3-carboxamide

C17H27N3O — CID 81238812

IUPACN-(cyclohexylmethyl)-N-methyl-4-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ccncc1C(=O)N(C)CC1CCCCC1
InChIInChI=1S/C17H27N3O/c1-3-10-19-16-9-11-18-12-15(16)17(21)20(2)13-14-7-5-4-6-8-14/h9,11-12,14H,3-8,10,13H2,1-2H3,(H,18,19)
InChIKeyNIUMOQVWKBVJTD-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.56
Rot. Bonds6

About N-(cyclohexylmethyl)-N-methyl-4-(propylamino)pyridine-3-carboxamide

N-(cyclohexylmethyl)-N-methyl-4-(propylamino)pyridine-3-carboxamide (PubChem CID 81238812) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-N-methyl-4-(propylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-N-methyl-4-(propylamino)pyridine-3-carboxamide
PubChem CID81238812
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-(cyclohexylmethyl)-N-methyl-4-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ccncc1C(=O)N(C)CC1CCCCC1
InChIInChI=1S/C17H27N3O/c1-3-10-19-16-9-11-18-12-15(16)17(21)20(2)13-14-7-5-4-6-8-14/h9,11-12,14H,3-8,10,13H2,1-2H3,(H,18,19)
InChIKeyNIUMOQVWKBVJTD-UHFFFAOYSA-N
XLogP3.56
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopentylmethyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide
CID 105070142
N-(cyclopropylmethyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide
CID 105068880
4-(ethylamino)-N-methyl-N-(oxan-3-ylmethyl)pyridine-3-carboxamide
CID 81242094
N-(cyclohexylmethyl)-3-hydroxy-N-methylpyridine-4-carboxamide
CID 80707237
N-(cyclopropylmethyl)-4-(ethylamino)-N-propylpyridine-3-carboxamide
CID 81242615
4-(ethylamino)-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridine-3-carboxamide
CID 81241438
N-(cyclopropylmethyl)-N,5-dimethyl-2-(propylamino)benzamide
CID 62509873
(3-ethylpiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone
CID 81243378
N-(cyclopentylmethyl)-3-(propylamino)pyridine-4-carboxamide
CID 105068587
N-(cyclopentylmethyl)-4-(ethylamino)pyridine-3-carboxamide
CID 81236600
(2-methylazepan-1-yl)-[4-(propylamino)-3-pyridinyl]methanone
CID 81245049
N-cyclobutyl-N-methyl-3-(propylamino)pyridine-4-carboxamide
CID 105071339

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-N-methyl-4-(propylamino)pyridine-3-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-N-methyl-4-(propylamino)pyridine-3-carboxamide (CID 81238812) is N-(cyclohexylmethyl)-N-methyl-4-(propylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-N-methyl-4-(propylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-N-methyl-4-(propylamino)pyridine-3-carboxamide is CCCNc1ccncc1C(=O)N(C)CC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-N-methyl-4-(propylamino)pyridine-3-carboxamide?
The InChIKey is NIUMOQVWKBVJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-3-10-19-16-9-11-18-12-15(16)17(21)20(2)13-14-7-5-4-6-8-14/h9,11-12,14H,3-8,10,13H2,1-2H3,(H,18,19).
What are the key properties of N-(cyclohexylmethyl)-N-methyl-4-(propylamino)pyridine-3-carboxamide?
N-(cyclohexylmethyl)-N-methyl-4-(propylamino)pyridine-3-carboxamide has a molecular weight of 289.42 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-N-methyl-4-(propylamino)pyridine-3-carboxamide is sourced from PubChem (CID 81238812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).