N-methyl-4-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide

C13H17N5O — CID 81241836

IUPACN-methyl-4-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
SMILESCNc1ccncc1C(=O)N(C)Cc1nccn1C
InChIInChI=1S/C13H17N5O/c1-14-11-4-5-15-8-10(11)13(19)18(3)9-12-16-6-7-17(12)2/h4-8H,9H2,1-3H3,(H,14,15)
InChIKeyBCCQAHLPPVSZTC-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.13
Rot. Bonds4

About N-methyl-4-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide

N-methyl-4-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide (PubChem CID 81241836) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is N-methyl-4-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-4-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
PubChem CID81241836
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC NameN-methyl-4-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
SMILESCNc1ccncc1C(=O)N(C)Cc1nccn1C
InChIInChI=1S/C13H17N5O/c1-14-11-4-5-15-8-10(11)13(19)18(3)9-12-16-6-7-17(12)2/h4-8H,9H2,1-3H3,(H,14,15)
InChIKeyBCCQAHLPPVSZTC-UHFFFAOYSA-N
XLogP1.13
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 ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-aminoprop-1-ynyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-4-carboxamide
CID 66482327
2,3-difluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 62662294
N-methyl-5-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]pyrazine-2-carboxamide
CID 107375575
N-(2-hydroxypropyl)-N-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81240291
2-hydroxy-N,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 60717766
N-[(4-methoxyphenyl)methyl]-N-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81237935
5-amino-2-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 61116431
2-fluoro-N,5-dimethyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 62514005
5-chloro-N-methyl-6-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 63020903
4-bromo-2-fluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 47120153
3-bromo-2-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 103979664
N-methyl-4-(methylamino)-N-(2-methylbutyl)pyridine-3-carboxamide
CID 81236054

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of N-methyl-4-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide (CID 81241836) is N-methyl-4-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-4-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for N-methyl-4-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide is CNc1ccncc1C(=O)N(C)Cc1nccn1C.
What is the InChIKey of N-methyl-4-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide?
The InChIKey is BCCQAHLPPVSZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-14-11-4-5-15-8-10(11)13(19)18(3)9-12-16-6-7-17(12)2/h4-8H,9H2,1-3H3,(H,14,15).
What are the key properties of N-methyl-4-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide?
N-methyl-4-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 81241836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).