N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide

C14H19N5O — CID 105070360

IUPACN-(1H-imidazol-2-ylmethyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cnccc1C(=O)N(C)Cc1ncc[nH]1
InChIInChI=1S/C14H19N5O/c1-3-5-16-12-9-15-6-4-11(12)14(20)19(2)10-13-17-7-8-18-13/h4,6-9,16H,3,5,10H2,1-2H3,(H,17,18)
InChIKeyVCXXAIZVOWAYPF-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.90
Rot. Bonds6

About N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide

N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide (PubChem CID 105070360) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide
PubChem CID105070360
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC NameN-(1H-imidazol-2-ylmethyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cnccc1C(=O)N(C)Cc1ncc[nH]1
InChIInChI=1S/C14H19N5O/c1-3-5-16-12-9-15-6-4-11(12)14(20)19(2)10-13-17-7-8-18-13/h4,6-9,16H,3,5,10H2,1-2H3,(H,17,18)
InChIKeyVCXXAIZVOWAYPF-UHFFFAOYSA-N
XLogP1.90
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1H-imidazol-2-yl)ethyl]-3-(propylamino)pyridine-4-carboxamide
CID 105071332
3-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-4-carboxamide
CID 66484932
N-(2-cyanoethyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide
CID 105068056
N-(5-hydroxypentyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide
CID 107201068
N-(3-hydroxybutyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide
CID 105071302
N-(3-methoxypropyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide
CID 105069961
N-(cyclopropylmethyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide
CID 105068880
3-(ethylamino)-N-methyl-N-propylpyridine-4-carboxamide
CID 105068562
2-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide
CID 64516996
N-methyl-3-(propylamino)-N-pyridin-4-ylpyridine-4-carboxamide
CID 106937266
N-[3-(dimethylamino)propyl]-3-(propylamino)pyridine-4-carboxamide
CID 105068347
N-(cyclopentylmethyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide
CID 105070142

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide (CID 105070360) is N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide is CCCNc1cnccc1C(=O)N(C)Cc1ncc[nH]1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide?
The InChIKey is VCXXAIZVOWAYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-3-5-16-12-9-15-6-4-11(12)14(20)19(2)10-13-17-7-8-18-13/h4,6-9,16H,3,5,10H2,1-2H3,(H,17,18).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide?
N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide is sourced from PubChem (CID 105070360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).