N-benzyl-3-[[(5-ethyl-2-pyridinyl)methylamino]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide

C25H27N5O — CID 42096663

IUPACN-benzyl-3-[[(5-ethyl-2-pyridinyl)methylamino]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide
SMILESCCc1ccc(CNCc2c(C(=O)N(C)Cc3ccccc3)nc3ccccn23)nc1
InChIInChI=1S/C25H27N5O/c1-3-19-12-13-21(27-15-19)16-26-17-22-24(28-23-11-7-8-14-30(22)23)25(31)29(2)18-20-9-5-4-6-10-20/h4-15,26H,3,16-18H2,1-2H3
InChIKeyVNIWTGAWXQQRAS-UHFFFAOYSA-N
MW413.53 g/mol
LogP3.85
Rot. Bonds8

About N-benzyl-3-[[(5-ethyl-2-pyridinyl)methylamino]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide

N-benzyl-3-[[(5-ethyl-2-pyridinyl)methylamino]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 42096663) has the molecular formula C25H27N5O and a molecular weight of 413.53 g/mol. Its IUPAC name is N-benzyl-3-[[(5-ethyl-2-pyridinyl)methylamino]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-[[(5-ethyl-2-pyridinyl)methylamino]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide
PubChem CID42096663
Molecular FormulaC25H27N5O
Molecular Weight413.53 g/mol
Exact Mass413.22
IUPAC NameN-benzyl-3-[[(5-ethyl-2-pyridinyl)methylamino]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide
SMILESCCc1ccc(CNCc2c(C(=O)N(C)Cc3ccccc3)nc3ccccn23)nc1
InChIInChI=1S/C25H27N5O/c1-3-19-12-13-21(27-15-19)16-26-17-22-24(28-23-11-7-8-14-30(22)23)25(31)29(2)18-20-9-5-4-6-10-20/h4-15,26H,3,16-18H2,1-2H3
InChIKeyVNIWTGAWXQQRAS-UHFFFAOYSA-N
XLogP3.85
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.53
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-benzyl-3-[[(5-ethyl-2-pyridinyl)methylamino]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide with MolForge

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Related Compounds

N-benzyl-N-methyl-3-[[[(1R)-1-phenylethyl]amino]methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 42513074
N-benzyl-3-[[[(2S)-2-hydroxypropyl]-methylamino]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 95553938
N-benzyl-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 24627026
N-butyl-3-[[(4-methoxyphenyl)methylamino]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 42528435
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-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-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
N-[(4-bromophenyl)methyl]-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 99176967
2-chloro-N-[(6-chloro-3-pyridinyl)methyl]-N-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 78895322
1-N-benzyl-3-N-butyl-1-N,3-N-dimethylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070445

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[[(5-ethyl-2-pyridinyl)methylamino]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-benzyl-3-[[(5-ethyl-2-pyridinyl)methylamino]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide (CID 42096663) is N-benzyl-3-[[(5-ethyl-2-pyridinyl)methylamino]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-benzyl-3-[[(5-ethyl-2-pyridinyl)methylamino]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-benzyl-3-[[(5-ethyl-2-pyridinyl)methylamino]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide is CCc1ccc(CNCc2c(C(=O)N(C)Cc3ccccc3)nc3ccccn23)nc1.
What is the InChIKey of N-benzyl-3-[[(5-ethyl-2-pyridinyl)methylamino]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is VNIWTGAWXQQRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O/c1-3-19-12-13-21(27-15-19)16-26-17-22-24(28-23-11-7-8-14-30(22)23)25(31)29(2)18-20-9-5-4-6-10-20/h4-15,26H,3,16-18H2,1-2H3.
What are the key properties of N-benzyl-3-[[(5-ethyl-2-pyridinyl)methylamino]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide?
N-benzyl-3-[[(5-ethyl-2-pyridinyl)methylamino]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 413.53 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[[(5-ethyl-2-pyridinyl)methylamino]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 42096663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).