2-(dimethylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide

C13H17N5O — CID 110475162

IUPAC2-(dimethylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
SMILESCN(C)c1ncccc1C(=O)NCc1nccn1C
InChIInChI=1S/C13H17N5O/c1-17(2)12-10(5-4-6-15-12)13(19)16-9-11-14-7-8-18(11)3/h4-8H,9H2,1-3H3,(H,16,19)
InChIKeyNJKDYQAZCUYYBL-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.81
Rot. Bonds4

About 2-(dimethylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide

2-(dimethylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide (PubChem CID 110475162) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
PubChem CID110475162
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name2-(dimethylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
SMILESCN(C)c1ncccc1C(=O)NCc1nccn1C
InChIInChI=1S/C13H17N5O/c1-17(2)12-10(5-4-6-15-12)13(19)16-9-11-14-7-8-18(11)3/h4-8H,9H2,1-3H3,(H,16,19)
InChIKeyNJKDYQAZCUYYBL-UHFFFAOYSA-N
XLogP0.81
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-difluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 55168082
N-[(1-methylimidazol-2-yl)methyl]naphthalene-1-carboxamide
CID 110440177
2-hydroxy-3-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 63237643
2-(dimethylamino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 110299234
N-[(1-methylimidazol-2-yl)methyl]-2-(propan-2-ylamino)benzamide
CID 63293605
2-amino-3-bromo-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 110451079
2-[2-[(1-methylimidazol-2-yl)methylamino]-2-oxoethyl]benzoic acid
CID 104601555
4-amino-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 81242142
5-chloro-2-fluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 63235961
4-fluoro-2-hydroxy-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 113304577
2,4-diamino-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 63296114
(1-methylimidazol-2-yl)methylcarbamic acid
CID 89157603

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 2-(dimethylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide (CID 110475162) is 2-(dimethylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(dimethylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(dimethylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide is CN(C)c1ncccc1C(=O)NCc1nccn1C.
What is the InChIKey of 2-(dimethylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide?
The InChIKey is NJKDYQAZCUYYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-17(2)12-10(5-4-6-15-12)13(19)16-9-11-14-7-8-18(11)3/h4-8H,9H2,1-3H3,(H,16,19).
What are the key properties of 2-(dimethylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide?
2-(dimethylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 110475162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).