N-[(3S)-1-benzylpyrrolidin-3-yl]-N-methyl-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide

C22H26N4O — CID 74250390

IUPACN-[(3S)-1-benzylpyrrolidin-3-yl]-N-methyl-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide
SMILESCc1cccn2c(CC(=O)N(C)[C@H]3CCN(Cc4ccccc4)C3)cnc12
InChIInChI=1S/C22H26N4O/c1-17-7-6-11-26-20(14-23-22(17)26)13-21(27)24(2)19-10-12-25(16-19)15-18-8-4-3-5-9-18/h3-9,11,14,19H,10,12-13,15-16H2,1-2H3/t19-/m0/s1
InChIKeyBRUADXGQFDSUET-IBGZPJMESA-N
MW362.48 g/mol
LogP2.92
Rot. Bonds5

About N-[(3S)-1-benzylpyrrolidin-3-yl]-N-methyl-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide

N-[(3S)-1-benzylpyrrolidin-3-yl]-N-methyl-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide (PubChem CID 74250390) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is N-[(3S)-1-benzylpyrrolidin-3-yl]-N-methyl-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide.

Molecular Properties

Compound NameN-[(3S)-1-benzylpyrrolidin-3-yl]-N-methyl-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide
PubChem CID74250390
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC NameN-[(3S)-1-benzylpyrrolidin-3-yl]-N-methyl-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide
SMILESCc1cccn2c(CC(=O)N(C)[C@H]3CCN(Cc4ccccc4)C3)cnc12
InChIInChI=1S/C22H26N4O/c1-17-7-6-11-26-20(14-23-22(17)26)13-21(27)24(2)19-10-12-25(16-19)15-18-8-4-3-5-9-18/h3-9,11,14,19H,10,12-13,15-16H2,1-2H3/t19-/m0/s1
InChIKeyBRUADXGQFDSUET-IBGZPJMESA-N
XLogP2.92
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide
CID 122565641
N-ethyl-2-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-(oxan-4-ylmethyl)acetamide
CID 56880575
N-(1-benzylpyrrolidin-3-yl)-N,2-dimethyl-1,3-benzoxazole-4-carboxamide
CID 136538580
N-[(3S)-1-benzylpyrrolidin-3-yl]-N-methyl-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 124861348
N-(1-benzylpiperidin-3-yl)-N-methyl-3-(oxolan-2-yl)propanamide
CID 136511620
2-[[(3R)-1-benzylpyrrolidin-3-yl]-methylamino]ethanol
CID 66565025
N-(1-benzylpiperidin-3-yl)-3-hydroxy-N-methylpyridine-2-carboxamide
CID 75510961
N-[(3R)-1-benzylpyrrolidin-3-yl]-2-cyclopropyl-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 70740053
(3aS,6aR)-2-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122045379
2-(8-methylimidazo[1,2-a]pyridin-3-yl)-1-(4-phenyl-1,4-diazepan-1-yl)ethanone
CID 70704986
1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone
CID 133267825
3-amino-N-(1-benzylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride
CID 119878325

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-benzylpyrrolidin-3-yl]-N-methyl-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide?
The IUPAC name of N-[(3S)-1-benzylpyrrolidin-3-yl]-N-methyl-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide (CID 74250390) is N-[(3S)-1-benzylpyrrolidin-3-yl]-N-methyl-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide.
What is the SMILES notation for N-[(3S)-1-benzylpyrrolidin-3-yl]-N-methyl-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide?
The canonical SMILES for N-[(3S)-1-benzylpyrrolidin-3-yl]-N-methyl-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide is Cc1cccn2c(CC(=O)N(C)[C@H]3CCN(Cc4ccccc4)C3)cnc12.
What is the InChIKey of N-[(3S)-1-benzylpyrrolidin-3-yl]-N-methyl-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide?
The InChIKey is BRUADXGQFDSUET-IBGZPJMESA-N. The full InChI is InChI=1S/C22H26N4O/c1-17-7-6-11-26-20(14-23-22(17)26)13-21(27)24(2)19-10-12-25(16-19)15-18-8-4-3-5-9-18/h3-9,11,14,19H,10,12-13,15-16H2,1-2H3/t19-/m0/s1.
What are the key properties of N-[(3S)-1-benzylpyrrolidin-3-yl]-N-methyl-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide?
N-[(3S)-1-benzylpyrrolidin-3-yl]-N-methyl-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide has a molecular weight of 362.48 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-benzylpyrrolidin-3-yl]-N-methyl-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide is sourced from PubChem (CID 74250390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).