N-benzyl-N-methyl-3-[[[(1R)-1-phenylethyl]amino]methyl]imidazo[1,2-a]pyridine-2-carboxamide

C25H26N4O — CID 42513074

IUPACN-benzyl-N-methyl-3-[[[(1R)-1-phenylethyl]amino]methyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESC[C@@H](NCc1c(C(=O)N(C)Cc2ccccc2)nc2ccccn12)c1ccccc1
InChIInChI=1S/C25H26N4O/c1-19(21-13-7-4-8-14-21)26-17-22-24(27-23-15-9-10-16-29(22)23)25(30)28(2)18-20-11-5-3-6-12-20/h3-16,19,26H,17-18H2,1-2H3/t19-/m1/s1
InChIKeyQNEGDORILRDBGM-LJQANCHMSA-N
MW398.51 g/mol
LogP4.46
Rot. Bonds7

About N-benzyl-N-methyl-3-[[[(1R)-1-phenylethyl]amino]methyl]imidazo[1,2-a]pyridine-2-carboxamide

N-benzyl-N-methyl-3-[[[(1R)-1-phenylethyl]amino]methyl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 42513074) has the molecular formula C25H26N4O and a molecular weight of 398.51 g/mol. Its IUPAC name is N-benzyl-N-methyl-3-[[[(1R)-1-phenylethyl]amino]methyl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-3-[[[(1R)-1-phenylethyl]amino]methyl]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID42513074
Molecular FormulaC25H26N4O
Molecular Weight398.51 g/mol
Exact Mass398.21
IUPAC NameN-benzyl-N-methyl-3-[[[(1R)-1-phenylethyl]amino]methyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESC[C@@H](NCc1c(C(=O)N(C)Cc2ccccc2)nc2ccccn12)c1ccccc1
InChIInChI=1S/C25H26N4O/c1-19(21-13-7-4-8-14-21)26-17-22-24(27-23-15-9-10-16-29(22)23)25(30)28(2)18-20-11-5-3-6-12-20/h3-16,19,26H,17-18H2,1-2H3/t19-/m1/s1
InChIKeyQNEGDORILRDBGM-LJQANCHMSA-N
XLogP4.46
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-benzyl-N-methyl-3-[[[(1R)-1-phenylethyl]amino]methyl]imidazo[1,2-a]pyridine-2-carboxamide with MolForge

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Related Compounds

N-benzyl-3-[[[(2S)-2-hydroxypropyl]-methylamino]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 95553938
(1R)-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-phenylethanamine
CID 81350884
N-benzyl-3-[[(5-ethyl-2-pyridinyl)methylamino]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 42096663
N-benzyl-3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 56862917
N-benzyl-3-[(4-carbamoylpiperidin-1-yl)methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 56715082
N-benzyl-N-methyl-3-[[methyl-[(3-methyl-4-pyridinyl)methyl]amino]methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 26394218
N-benzyl-3-[[(3R)-3-hydroxypiperidin-1-yl]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 25286717
3-[(dimethylamino)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid
CID 39121627
3-bromo-N-(1-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 140676211
N-benzyl-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 24627026
1-N-benzyl-1-N-methyl-3-N-(pyridin-4-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070440
(1R)-1-(3-fluorophenyl)-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]ethanamine
CID 81368632

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-3-[[[(1R)-1-phenylethyl]amino]methyl]imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-benzyl-N-methyl-3-[[[(1R)-1-phenylethyl]amino]methyl]imidazo[1,2-a]pyridine-2-carboxamide (CID 42513074) is N-benzyl-N-methyl-3-[[[(1R)-1-phenylethyl]amino]methyl]imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-benzyl-N-methyl-3-[[[(1R)-1-phenylethyl]amino]methyl]imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-benzyl-N-methyl-3-[[[(1R)-1-phenylethyl]amino]methyl]imidazo[1,2-a]pyridine-2-carboxamide is C[C@@H](NCc1c(C(=O)N(C)Cc2ccccc2)nc2ccccn12)c1ccccc1.
What is the InChIKey of N-benzyl-N-methyl-3-[[[(1R)-1-phenylethyl]amino]methyl]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is QNEGDORILRDBGM-LJQANCHMSA-N. The full InChI is InChI=1S/C25H26N4O/c1-19(21-13-7-4-8-14-21)26-17-22-24(27-23-15-9-10-16-29(22)23)25(30)28(2)18-20-11-5-3-6-12-20/h3-16,19,26H,17-18H2,1-2H3/t19-/m1/s1.
What are the key properties of N-benzyl-N-methyl-3-[[[(1R)-1-phenylethyl]amino]methyl]imidazo[1,2-a]pyridine-2-carboxamide?
N-benzyl-N-methyl-3-[[[(1R)-1-phenylethyl]amino]methyl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 398.51 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-3-[[[(1R)-1-phenylethyl]amino]methyl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 42513074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).