N-butyl-N-methyl-3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]imidazo[1,2-a]pyridine-2-carboxamide

C20H28N6O — CID 25286754

IUPACN-butyl-N-methyl-3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCCCCN(C)C(=O)c1nc2ccccn2c1CN(C)Cc1nccn1C
InChIInChI=1S/C20H28N6O/c1-5-6-11-25(4)20(27)19-16(26-12-8-7-9-17(26)22-19)14-23(2)15-18-21-10-13-24(18)3/h7-10,12-13H,5-6,11,14-15H2,1-4H3
InChIKeyCMMNJSMXGDAGAB-UHFFFAOYSA-N
MW368.49 g/mol
LogP2.57
Rot. Bonds8

About N-butyl-N-methyl-3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]imidazo[1,2-a]pyridine-2-carboxamide

N-butyl-N-methyl-3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 25286754) has the molecular formula C20H28N6O and a molecular weight of 368.49 g/mol. Its IUPAC name is N-butyl-N-methyl-3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-butyl-N-methyl-3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID25286754
Molecular FormulaC20H28N6O
Molecular Weight368.49 g/mol
Exact Mass368.23
IUPAC NameN-butyl-N-methyl-3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCCCCN(C)C(=O)c1nc2ccccn2c1CN(C)Cc1nccn1C
InChIInChI=1S/C20H28N6O/c1-5-6-11-25(4)20(27)19-16(26-12-8-7-9-17(26)22-19)14-23(2)15-18-21-10-13-24(18)3/h7-10,12-13H,5-6,11,14-15H2,1-4H3
InChIKeyCMMNJSMXGDAGAB-UHFFFAOYSA-N
XLogP2.57
TPSA58.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[butyl(methyl)amino]methyl]imidazo[1,2-a]pyridine-2-carboxylic acid
CID 39121631
N-methyl-5-[[(1-methylimidazol-2-yl)methyl-propan-2-ylamino]methyl]-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 45242762
N-butyl-3-[[(4-methoxyphenyl)methylamino]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 42528435
N-benzyl-3-[[[(2S)-2-hydroxypropyl]-methylamino]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 95553938
N-benzyl-N-methyl-3-[[methyl-[(3-methyl-4-pyridinyl)methyl]amino]methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 26394218
2-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethyl]benzoic acid
CID 104548761
1-(2-chloroquinolin-3-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 60696068
4-[3-[[butyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]aniline
CID 92858211
1-N-benzyl-3-N-butyl-1-N,3-N-dimethylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070445
N-butyl-N-methyl-3-[[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethylamino]methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 45212000
3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]quinolin-2-amine
CID 63025119
2-amino-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-2-phenylpropanoic acid
CID 63024592

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-butyl-N-methyl-3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]imidazo[1,2-a]pyridine-2-carboxamide (CID 25286754) is N-butyl-N-methyl-3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-butyl-N-methyl-3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-butyl-N-methyl-3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]imidazo[1,2-a]pyridine-2-carboxamide is CCCCN(C)C(=O)c1nc2ccccn2c1CN(C)Cc1nccn1C.
What is the InChIKey of N-butyl-N-methyl-3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is CMMNJSMXGDAGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O/c1-5-6-11-25(4)20(27)19-16(26-12-8-7-9-17(26)22-19)14-23(2)15-18-21-10-13-24(18)3/h7-10,12-13H,5-6,11,14-15H2,1-4H3.
What are the key properties of N-butyl-N-methyl-3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]imidazo[1,2-a]pyridine-2-carboxamide?
N-butyl-N-methyl-3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 368.49 g/mol, XLogP of 2.57, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 25286754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).