N-(4,4-dimethylcyclohexyl)-4-(propylamino)pyridine-3-carboxamide

C17H27N3O — CID 81235124

IUPACN-(4,4-dimethylcyclohexyl)-4-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ccncc1C(=O)NC1CCC(C)(C)CC1
InChIInChI=1S/C17H27N3O/c1-4-10-19-15-7-11-18-12-14(15)16(21)20-13-5-8-17(2,3)9-6-13/h7,11-13H,4-6,8-10H2,1-3H3,(H,18,19)(H,20,21)
InChIKeySWFXWAJBJJETCQ-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.60
Rot. Bonds5

About N-(4,4-dimethylcyclohexyl)-4-(propylamino)pyridine-3-carboxamide

N-(4,4-dimethylcyclohexyl)-4-(propylamino)pyridine-3-carboxamide (PubChem CID 81235124) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-(4,4-dimethylcyclohexyl)-4-(propylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4,4-dimethylcyclohexyl)-4-(propylamino)pyridine-3-carboxamide
PubChem CID81235124
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-(4,4-dimethylcyclohexyl)-4-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ccncc1C(=O)NC1CCC(C)(C)CC1
InChIInChI=1S/C17H27N3O/c1-4-10-19-15-7-11-18-12-14(15)16(21)20-13-5-8-17(2,3)9-6-13/h7,11-13H,4-6,8-10H2,1-3H3,(H,18,19)(H,20,21)
InChIKeySWFXWAJBJJETCQ-UHFFFAOYSA-N
XLogP3.60
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(propylamino)-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-3-carboxamide
CID 81244963
N-(1-methylcyclopentyl)-4-(propylamino)pyridine-3-carboxamide
CID 81245301
(4,4-dimethylpiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone
CID 81240564
N-cyclooctyl-3-(propylamino)pyridine-4-carboxamide
CID 105067977
N-(1-cyclopropylbutan-2-yl)-4-(propylamino)pyridine-3-carboxamide
CID 81242102
N-[2-(carbamoylamino)ethyl]-4-(propylamino)pyridine-3-carboxamide
CID 83115001
N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-(propylamino)pyridine-3-carboxamide
CID 106098462
4-(ethylamino)-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide
CID 81239986
(3-hydroxy-3-methylpyrrolidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone
CID 103358219
N-[(1-methylpiperidin-2-yl)methyl]-4-(propylamino)pyridine-3-carboxamide
CID 81238615
N-[3-oxo-3-(propylamino)propyl]-4-(propylamino)pyridine-3-carboxamide
CID 81237252
(4-methylpiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone
CID 81235903

Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethylcyclohexyl)-4-(propylamino)pyridine-3-carboxamide?
The IUPAC name of N-(4,4-dimethylcyclohexyl)-4-(propylamino)pyridine-3-carboxamide (CID 81235124) is N-(4,4-dimethylcyclohexyl)-4-(propylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(4,4-dimethylcyclohexyl)-4-(propylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(4,4-dimethylcyclohexyl)-4-(propylamino)pyridine-3-carboxamide is CCCNc1ccncc1C(=O)NC1CCC(C)(C)CC1.
What is the InChIKey of N-(4,4-dimethylcyclohexyl)-4-(propylamino)pyridine-3-carboxamide?
The InChIKey is SWFXWAJBJJETCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-4-10-19-15-7-11-18-12-14(15)16(21)20-13-5-8-17(2,3)9-6-13/h7,11-13H,4-6,8-10H2,1-3H3,(H,18,19)(H,20,21).
What are the key properties of N-(4,4-dimethylcyclohexyl)-4-(propylamino)pyridine-3-carboxamide?
N-(4,4-dimethylcyclohexyl)-4-(propylamino)pyridine-3-carboxamide has a molecular weight of 289.42 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethylcyclohexyl)-4-(propylamino)pyridine-3-carboxamide is sourced from PubChem (CID 81235124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).