N-methyl-6-(propylamino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide

C17H22N4O — CID 109151190

IUPACN-methyl-6-(propylamino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
SMILESCCCNc1ccc(C(=O)N(C)CCc2ccncc2)cn1
InChIInChI=1S/C17H22N4O/c1-3-9-19-16-5-4-15(13-20-16)17(22)21(2)12-8-14-6-10-18-11-7-14/h4-7,10-11,13H,3,8-9,12H2,1-2H3,(H,19,20)
InChIKeyXGSVNVJVXHJEDZ-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.61
Rot. Bonds7

About N-methyl-6-(propylamino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide

N-methyl-6-(propylamino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide (PubChem CID 109151190) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N-methyl-6-(propylamino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-6-(propylamino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
PubChem CID109151190
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN-methyl-6-(propylamino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
SMILESCCCNc1ccc(C(=O)N(C)CCc2ccncc2)cn1
InChIInChI=1S/C17H22N4O/c1-3-9-19-16-5-4-15(13-20-16)17(22)21(2)12-8-14-6-10-18-11-7-14/h4-7,10-11,13H,3,8-9,12H2,1-2H3,(H,19,20)
InChIKeyXGSVNVJVXHJEDZ-UHFFFAOYSA-N
XLogP2.61
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-6-(2-phenylethylamino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109158205
6-[2-(4-methoxyphenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109158980
N-(2-hydroxyethyl)-N-methyl-6-(propylamino)pyridine-3-carboxamide
CID 55046985
6-[(4-fluorophenyl)methylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109156607
6-[2-(cyclohexen-1-yl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109152716
N-methyl-5-(propylamino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109223006
6-(ethylamino)-N-methyl-N-propylpyridine-3-carboxamide
CID 62167941
N-methyl-6-(propylamino)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
CID 63208830
N-butyl-6-[3-(dimethylamino)propylamino]-N-methylpyridine-3-carboxamide
CID 109154268
1-N-butyl-1-N,4-N-dimethyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109048088
5-N-methyl-3-N-propyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 109101177
N-butyl-6-[2-(4-methoxyphenyl)ethylamino]-N-methylpyridine-3-carboxamide
CID 109158989

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(propylamino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide?
The IUPAC name of N-methyl-6-(propylamino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide (CID 109151190) is N-methyl-6-(propylamino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-6-(propylamino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide?
The canonical SMILES for N-methyl-6-(propylamino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide is CCCNc1ccc(C(=O)N(C)CCc2ccncc2)cn1.
What is the InChIKey of N-methyl-6-(propylamino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide?
The InChIKey is XGSVNVJVXHJEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-3-9-19-16-5-4-15(13-20-16)17(22)21(2)12-8-14-6-10-18-11-7-14/h4-7,10-11,13H,3,8-9,12H2,1-2H3,(H,19,20).
What are the key properties of N-methyl-6-(propylamino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide?
N-methyl-6-(propylamino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(propylamino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 109151190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).