N-methyl-5-(propylamino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide

C17H22N4O — CID 109223006

IUPACN-methyl-5-(propylamino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
SMILESCCCNc1cncc(C(=O)N(C)CCc2ccncc2)c1
InChIInChI=1S/C17H22N4O/c1-3-7-20-16-11-15(12-19-13-16)17(22)21(2)10-6-14-4-8-18-9-5-14/h4-5,8-9,11-13,20H,3,6-7,10H2,1-2H3
InChIKeyTYOMHHBKUJGWIF-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.61
Rot. Bonds7

About N-methyl-5-(propylamino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide

N-methyl-5-(propylamino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide (PubChem CID 109223006) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N-methyl-5-(propylamino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-5-(propylamino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
PubChem CID109223006
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN-methyl-5-(propylamino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
SMILESCCCNc1cncc(C(=O)N(C)CCc2ccncc2)c1
InChIInChI=1S/C17H22N4O/c1-3-7-20-16-11-15(12-19-13-16)17(22)21(2)10-6-14-4-8-18-9-5-14/h4-5,8-9,11-13,20H,3,6-7,10H2,1-2H3
InChIKeyTYOMHHBKUJGWIF-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-N-(2-pyridin-4-ylethyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109235639
5-N-methyl-3-N-propyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 109101177
5-[(4-fluorophenyl)methylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109233675
5-[4-(dimethylamino)anilino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109237048
N-methyl-6-(propylamino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109151190
N-methyl-5-(3-methylanilino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109236995
3-N-tert-butyl-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 109106447
3-N-(2-methoxyethyl)-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 109103424
3-N-[3-(dimethylamino)propyl]-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 109104288
5-(3-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109237031
5-N-methyl-3-N-propan-2-yl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 109101373
5-(2,5-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109237038

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(propylamino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide?
The IUPAC name of N-methyl-5-(propylamino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide (CID 109223006) is N-methyl-5-(propylamino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-5-(propylamino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide?
The canonical SMILES for N-methyl-5-(propylamino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide is CCCNc1cncc(C(=O)N(C)CCc2ccncc2)c1.
What is the InChIKey of N-methyl-5-(propylamino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide?
The InChIKey is TYOMHHBKUJGWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-3-7-20-16-11-15(12-19-13-16)17(22)21(2)10-6-14-4-8-18-9-5-14/h4-5,8-9,11-13,20H,3,6-7,10H2,1-2H3.
What are the key properties of N-methyl-5-(propylamino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide?
N-methyl-5-(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-5-(propylamino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 109223006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).