N-benzyl-3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide

C21H24N4O2 — CID 56862917

IUPACN-benzyl-3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1nc2ccccn2c1CN1CC[C@@H](O)C1
InChIInChI=1S/C21H24N4O2/c1-23(13-16-7-3-2-4-8-16)21(27)20-18(15-24-12-10-17(26)14-24)25-11-6-5-9-19(25)22-20/h2-9,11,17,26H,10,12-15H2,1H3/t17-/m1/s1
InChIKeyKCXUFXKGDHHXKK-QGZVFWFLSA-N
MW364.45 g/mol
LogP2.17
Rot. Bonds5

About N-benzyl-3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide

N-benzyl-3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 56862917) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-benzyl-3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide
PubChem CID56862917
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC NameN-benzyl-3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1nc2ccccn2c1CN1CC[C@@H](O)C1
InChIInChI=1S/C21H24N4O2/c1-23(13-16-7-3-2-4-8-16)21(27)20-18(15-24-12-10-17(26)14-24)25-11-6-5-9-19(25)22-20/h2-9,11,17,26H,10,12-15H2,1H3/t17-/m1/s1
InChIKeyKCXUFXKGDHHXKK-QGZVFWFLSA-N
XLogP2.17
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-3-[[(3R)-3-hydroxypiperidin-1-yl]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 25286717
N-benzyl-3-[(4-carbamoylpiperidin-1-yl)methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 56715082
5-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-N-methyl-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 56880789
5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-N-methyl-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 56863269
N-benzyl-N-methyl-5-[(3R)-1-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide
CID 124955098
N-benzyl-3-[[[(2S)-2-hydroxypropyl]-methylamino]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 95553938
N-benzyl-N-methyl-3-[[[(1R)-1-phenylethyl]amino]methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 42513074
3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid
CID 39121604
3-[(dimethylamino)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid
CID 39121627
N-benzyl-2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-phenylacetamide
CID 111123187
N-benzyl-N-methyl-3-[[methyl-[(3-methyl-4-pyridinyl)methyl]amino]methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 26394218
3-[(2-ethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid
CID 82029007

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-benzyl-3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide (CID 56862917) is N-benzyl-3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-benzyl-3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-benzyl-3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide is CN(Cc1ccccc1)C(=O)c1nc2ccccn2c1CN1CC[C@@H](O)C1.
What is the InChIKey of N-benzyl-3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is KCXUFXKGDHHXKK-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-23(13-16-7-3-2-4-8-16)21(27)20-18(15-24-12-10-17(26)14-24)25-11-6-5-9-19(25)22-20/h2-9,11,17,26H,10,12-15H2,1H3/t17-/m1/s1.
What are the key properties of N-benzyl-3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide?
N-benzyl-3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 56862917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).