N-methyl-N-(2-methylcyclohexyl)-4-(propylamino)pyridine-2-carboxamide

C17H27N3O — CID 62175380

IUPACN-methyl-N-(2-methylcyclohexyl)-4-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1ccnc(C(=O)N(C)C2CCCCC2C)c1
InChIInChI=1S/C17H27N3O/c1-4-10-18-14-9-11-19-15(12-14)17(21)20(3)16-8-6-5-7-13(16)2/h9,11-13,16H,4-8,10H2,1-3H3,(H,18,19)
InChIKeyQHWCONZIGMKHSN-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.55
Rot. Bonds5

About N-methyl-N-(2-methylcyclohexyl)-4-(propylamino)pyridine-2-carboxamide

N-methyl-N-(2-methylcyclohexyl)-4-(propylamino)pyridine-2-carboxamide (PubChem CID 62175380) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-methyl-N-(2-methylcyclohexyl)-4-(propylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(2-methylcyclohexyl)-4-(propylamino)pyridine-2-carboxamide
PubChem CID62175380
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-methyl-N-(2-methylcyclohexyl)-4-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1ccnc(C(=O)N(C)C2CCCCC2C)c1
InChIInChI=1S/C17H27N3O/c1-4-10-18-14-9-11-19-15(12-14)17(21)20(3)16-8-6-5-7-13(16)2/h9,11-13,16H,4-8,10H2,1-3H3,(H,18,19)
InChIKeyQHWCONZIGMKHSN-UHFFFAOYSA-N
XLogP3.55
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(ethylamino)-N-methyl-N-(4-methylcyclohexyl)pyridine-2-carboxamide
CID 62178128
N,N-diethyl-4-(propylamino)pyridine-2-carboxamide
CID 43395263
N-(cyclopropylmethyl)-N-ethyl-4-(propylamino)pyridine-2-carboxamide
CID 63939735
N-(cyclohexylmethyl)-4-(propylamino)pyridine-2-carboxamide
CID 62169677
N-methyl-N-(2-methylcyclohexyl)-2-(propylamino)benzamide
CID 62175214
4-(cyclopentylmethylamino)-N,N-dimethylpyridine-2-carboxamide
CID 43517479
N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-(propylamino)pyridine-2-carboxamide
CID 79386430
N,N-diethyl-4-[(2-methylcyclohexyl)amino]pyridine-2-carboxamide
CID 43395278
N-[2-(dimethylamino)propyl]-4-(propylamino)pyridine-2-carboxamide
CID 55047383
N,N-dimethyl-4-[[2-oxo-2-(propylamino)ethyl]amino]pyridine-2-carboxamide
CID 43402718
N-cycloheptyl-4-hydrazinyl-N-methylpyridine-2-carboxamide
CID 62236519
N-(4-ethylcyclohexyl)-4-(propylamino)pyridine-2-carboxamide
CID 63498977

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylcyclohexyl)-4-(propylamino)pyridine-2-carboxamide?
The IUPAC name of N-methyl-N-(2-methylcyclohexyl)-4-(propylamino)pyridine-2-carboxamide (CID 62175380) is N-methyl-N-(2-methylcyclohexyl)-4-(propylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-N-(2-methylcyclohexyl)-4-(propylamino)pyridine-2-carboxamide?
The canonical SMILES for N-methyl-N-(2-methylcyclohexyl)-4-(propylamino)pyridine-2-carboxamide is CCCNc1ccnc(C(=O)N(C)C2CCCCC2C)c1.
What is the InChIKey of N-methyl-N-(2-methylcyclohexyl)-4-(propylamino)pyridine-2-carboxamide?
The InChIKey is QHWCONZIGMKHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-4-10-18-14-9-11-19-15(12-14)17(21)20(3)16-8-6-5-7-13(16)2/h9,11-13,16H,4-8,10H2,1-3H3,(H,18,19).
What are the key properties of N-methyl-N-(2-methylcyclohexyl)-4-(propylamino)pyridine-2-carboxamide?
N-methyl-N-(2-methylcyclohexyl)-4-(propylamino)pyridine-2-carboxamide has a molecular weight of 289.42 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylcyclohexyl)-4-(propylamino)pyridine-2-carboxamide is sourced from PubChem (CID 62175380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).