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

C17H27N3O — CID 62178480

IUPACN-methyl-N-(4-methylcyclohexyl)-6-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ccc(C(=O)N(C)C2CCC(C)CC2)cn1
InChIInChI=1S/C17H27N3O/c1-4-11-18-16-10-7-14(12-19-16)17(21)20(3)15-8-5-13(2)6-9-15/h7,10,12-13,15H,4-6,8-9,11H2,1-3H3,(H,18,19)
InChIKeyACEFLRGNKUNGFW-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.55
Rot. Bonds5

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

N-methyl-N-(4-methylcyclohexyl)-6-(propylamino)pyridine-3-carboxamide (PubChem CID 62178480) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-methyl-N-(4-methylcyclohexyl)-6-(propylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(4-methylcyclohexyl)-6-(propylamino)pyridine-3-carboxamide
PubChem CID62178480
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-methyl-N-(4-methylcyclohexyl)-6-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ccc(C(=O)N(C)C2CCC(C)CC2)cn1
InChIInChI=1S/C17H27N3O/c1-4-11-18-16-10-7-14(12-19-16)17(21)20(3)15-8-5-13(2)6-9-15/h7,10,12-13,15H,4-6,8-9,11H2,1-3H3,(H,18,19)
InChIKeyACEFLRGNKUNGFW-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

N-methyl-N-(1-methylpiperidin-3-yl)-6-(propylamino)pyridine-3-carboxamide
CID 62540530
5-[methyl-(4-methylcyclohexyl)carbamoyl]pyridine-2-carboxylic acid
CID 60725247
[4-(dimethylamino)piperidin-1-yl]-[6-(propylamino)-3-pyridinyl]methanone
CID 62169915
N-(2-hydroxyethyl)-N-methyl-6-(propylamino)pyridine-3-carboxamide
CID 55046985
N-methyl-N-(4-methylcyclohexyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 134026117
N-(cyclopropylmethyl)-N-propan-2-yl-6-(propylamino)pyridine-3-carboxamide
CID 62178134
N',N'-dimethyl-6-(propylamino)pyridine-3-carbohydrazide
CID 83024179
N-(cyclobutylmethyl)-6-(propylamino)pyridine-3-carboxamide
CID 62168464
6-(ethylamino)-N-(4-methylcyclohexyl)pyridine-3-carboxamide
CID 62173346
N-(2-hydroxyethyl)-N-propyl-6-(propylamino)pyridine-3-carboxamide
CID 55046804
N,N-bis(cyanomethyl)-6-(propylamino)pyridine-3-carboxamide
CID 55042439
N-propan-2-yl-N-propyl-6-(propylamino)pyridine-3-carboxamide
CID 62168280

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methylcyclohexyl)-6-(propylamino)pyridine-3-carboxamide?
The IUPAC name of N-methyl-N-(4-methylcyclohexyl)-6-(propylamino)pyridine-3-carboxamide (CID 62178480) is N-methyl-N-(4-methylcyclohexyl)-6-(propylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-N-(4-methylcyclohexyl)-6-(propylamino)pyridine-3-carboxamide?
The canonical SMILES for N-methyl-N-(4-methylcyclohexyl)-6-(propylamino)pyridine-3-carboxamide is CCCNc1ccc(C(=O)N(C)C2CCC(C)CC2)cn1.
What is the InChIKey of N-methyl-N-(4-methylcyclohexyl)-6-(propylamino)pyridine-3-carboxamide?
The InChIKey is ACEFLRGNKUNGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-4-11-18-16-10-7-14(12-19-16)17(21)20(3)15-8-5-13(2)6-9-15/h7,10,12-13,15H,4-6,8-9,11H2,1-3H3,(H,18,19).
What are the key properties of N-methyl-N-(4-methylcyclohexyl)-6-(propylamino)pyridine-3-carboxamide?
N-methyl-N-(4-methylcyclohexyl)-6-(propylamino)pyridine-3-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-(4-methylcyclohexyl)-6-(propylamino)pyridine-3-carboxamide is sourced from PubChem (CID 62178480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).