6-methyl-N-(1-methylcyclohexyl)-4-(propylamino)pyridine-3-carboxamide

C17H27N3O — CID 81238446

IUPAC6-methyl-N-(1-methylcyclohexyl)-4-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1cc(C)ncc1C(=O)NC1(C)CCCCC1
InChIInChI=1S/C17H27N3O/c1-4-10-18-15-11-13(2)19-12-14(15)16(21)20-17(3)8-6-5-7-9-17/h11-12H,4-10H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyVEBFGYFLJPHDRL-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.66
Rot. Bonds5

About 6-methyl-N-(1-methylcyclohexyl)-4-(propylamino)pyridine-3-carboxamide

6-methyl-N-(1-methylcyclohexyl)-4-(propylamino)pyridine-3-carboxamide (PubChem CID 81238446) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 6-methyl-N-(1-methylcyclohexyl)-4-(propylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-(1-methylcyclohexyl)-4-(propylamino)pyridine-3-carboxamide
PubChem CID81238446
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name6-methyl-N-(1-methylcyclohexyl)-4-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1cc(C)ncc1C(=O)NC1(C)CCCCC1
InChIInChI=1S/C17H27N3O/c1-4-10-18-15-11-13(2)19-12-14(15)16(21)20-17(3)8-6-5-7-9-17/h11-12H,4-10H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyVEBFGYFLJPHDRL-UHFFFAOYSA-N
XLogP3.66
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 ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-N-(1-methylcyclohexyl)-2-(propylamino)benzamide
CID 63499534
N-(1-methylcyclopentyl)-4-(propylamino)pyridine-3-carboxamide
CID 81245301
N-(2,2-dimethylcyclopropyl)-6-methyl-4-(propylamino)pyridine-3-carboxamide
CID 81243069
6-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4-(propylamino)pyridine-3-carboxamide
CID 81238236
N-butyl-6-methyl-4-(propylamino)pyridine-3-carboxamide
CID 81235324
4-chloro-6-methyl-N-(1-methylcyclopentyl)pyridine-3-carboxamide
CID 81226891
6-methyl-4-(propylamino)-N-pyrimidin-2-ylpyridine-3-carboxamide
CID 81233882
6-methyl-N-[2-oxo-2-(propylamino)ethyl]-4-(propylamino)pyridine-3-carboxamide
CID 81237526
6-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]-4-(propylamino)pyridine-3-carboxamide
CID 81240178
N-(3-amino-3-oxopropyl)-6-methyl-4-(propylamino)pyridine-3-carboxamide
CID 81243302
N-[2-(ethylamino)-2-oxoethyl]-6-methyl-4-(propylamino)pyridine-3-carboxamide
CID 81243009
4-(ethylamino)-6-methyl-N-propylpyridine-3-carboxamide
CID 81236373

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(1-methylcyclohexyl)-4-(propylamino)pyridine-3-carboxamide?
The IUPAC name of 6-methyl-N-(1-methylcyclohexyl)-4-(propylamino)pyridine-3-carboxamide (CID 81238446) is 6-methyl-N-(1-methylcyclohexyl)-4-(propylamino)pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-(1-methylcyclohexyl)-4-(propylamino)pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-N-(1-methylcyclohexyl)-4-(propylamino)pyridine-3-carboxamide is CCCNc1cc(C)ncc1C(=O)NC1(C)CCCCC1.
What is the InChIKey of 6-methyl-N-(1-methylcyclohexyl)-4-(propylamino)pyridine-3-carboxamide?
The InChIKey is VEBFGYFLJPHDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-4-10-18-15-11-13(2)19-12-14(15)16(21)20-17(3)8-6-5-7-9-17/h11-12H,4-10H2,1-3H3,(H,18,19)(H,20,21).
What are the key properties of 6-methyl-N-(1-methylcyclohexyl)-4-(propylamino)pyridine-3-carboxamide?
6-methyl-N-(1-methylcyclohexyl)-4-(propylamino)pyridine-3-carboxamide has a molecular weight of 289.42 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(1-methylcyclohexyl)-4-(propylamino)pyridine-3-carboxamide is sourced from PubChem (CID 81238446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).