N-[(3S)-1-[1-benzyl-6-(methylamino)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-3-yl]acetamide

C20H24N6O — CID 129274837

IUPACN-[(3S)-1-[1-benzyl-6-(methylamino)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-3-yl]acetamide
SMILESCNc1cnc2nc(N3CC[C@H](NC(C)=O)C3)n(Cc3ccccc3)c2c1
InChIInChI=1S/C20H24N6O/c1-14(27)23-16-8-9-25(13-16)20-24-19-18(10-17(21-2)11-22-19)26(20)12-15-6-4-3-5-7-15/h3-7,10-11,16,21H,8-9,12-13H2,1-2H3,(H,23,27)/t16-/m0/s1
InChIKeyJZSGUUMOUZAVGC-INIZCTEOSA-N
MW364.45 g/mol
LogP2.24
Rot. Bonds5

About N-[(3S)-1-[1-benzyl-6-(methylamino)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-3-yl]acetamide

N-[(3S)-1-[1-benzyl-6-(methylamino)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-3-yl]acetamide (PubChem CID 129274837) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[(3S)-1-[1-benzyl-6-(methylamino)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S)-1-[1-benzyl-6-(methylamino)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-3-yl]acetamide
PubChem CID129274837
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC NameN-[(3S)-1-[1-benzyl-6-(methylamino)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-3-yl]acetamide
SMILESCNc1cnc2nc(N3CC[C@H](NC(C)=O)C3)n(Cc3ccccc3)c2c1
InChIInChI=1S/C20H24N6O/c1-14(27)23-16-8-9-25(13-16)20-24-19-18(10-17(21-2)11-22-19)26(20)12-15-6-4-3-5-7-15/h3-7,10-11,16,21H,8-9,12-13H2,1-2H3,(H,23,27)/t16-/m0/s1
InChIKeyJZSGUUMOUZAVGC-INIZCTEOSA-N
XLogP2.24
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[(3R)-1-[1-benzyl-6-(methylamino)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-3-yl]methanol
CID 129275581
1-benzyl-2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-methylimidazo[4,5-b]pyridin-6-amine
CID 129275575
N-[1-(4-phenylmethoxyphenyl)pyrrolidin-3-yl]acetamide
CID 138534083
N-[1-benzyl-2-[3-(hydroxymethyl)pyrrolidin-1-yl]imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide
CID 129248512
N-[(3S)-1-benzylpiperidin-3-yl]acetamide
CID 58526543
tert-butyl N-[(3S)-1-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-3-yl]carbamate
CID 97174156
N-[(3S)-1-(6-methyl-2-phenylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide
CID 95127459
1-(1-benzyl-5,6-dimethylbenzimidazol-2-yl)-N-cyclopentylpiperidine-4-carboxamide
CID 50996652
1-[(6-methyl-3-pyridinyl)methyl]-3-[(3R)-1-phenylpyrrolidin-3-yl]urea
CID 95759860
tert-butyl N-[(3S)-1-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]piperidin-3-yl]carbamate
CID 97168181
tert-butyl N-[(3S)-1-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]pyrrolidin-3-yl]carbamate
CID 97174152
N-[(3S)-1-[(2R)-1-benzylpyrrolidine-2-carbonyl]piperidin-3-yl]acetamide
CID 97027820

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[1-benzyl-6-(methylamino)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3S)-1-[1-benzyl-6-(methylamino)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-3-yl]acetamide (CID 129274837) is N-[(3S)-1-[1-benzyl-6-(methylamino)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S)-1-[1-benzyl-6-(methylamino)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3S)-1-[1-benzyl-6-(methylamino)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-3-yl]acetamide is CNc1cnc2nc(N3CC[C@H](NC(C)=O)C3)n(Cc3ccccc3)c2c1.
What is the InChIKey of N-[(3S)-1-[1-benzyl-6-(methylamino)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-3-yl]acetamide?
The InChIKey is JZSGUUMOUZAVGC-INIZCTEOSA-N. The full InChI is InChI=1S/C20H24N6O/c1-14(27)23-16-8-9-25(13-16)20-24-19-18(10-17(21-2)11-22-19)26(20)12-15-6-4-3-5-7-15/h3-7,10-11,16,21H,8-9,12-13H2,1-2H3,(H,23,27)/t16-/m0/s1.
What are the key properties of N-[(3S)-1-[1-benzyl-6-(methylamino)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-3-yl]acetamide?
N-[(3S)-1-[1-benzyl-6-(methylamino)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-3-yl]acetamide has a molecular weight of 364.45 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[1-benzyl-6-(methylamino)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 129274837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).