3-[[(3S)-1-(imidazo[1,2-a]pyridine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide

C20H20N4O2 — CID 95715110

IUPAC3-[[(3S)-1-(imidazo[1,2-a]pyridine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide
SMILESNC(=O)c1cccc(C[C@H]2CCN(C(=O)c3cnc4ccccn34)C2)c1
InChIInChI=1S/C20H20N4O2/c21-19(25)16-5-3-4-14(11-16)10-15-7-9-23(13-15)20(26)17-12-22-18-6-1-2-8-24(17)18/h1-6,8,11-12,15H,7,9-10,13H2,(H2,21,25)/t15-/m1/s1
InChIKeyOMJIAZAQMLAVTP-OAHLLOKOSA-N
MW348.41 g/mol
LogP2.14
Rot. Bonds4

About 3-[[(3S)-1-(imidazo[1,2-a]pyridine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide

3-[[(3S)-1-(imidazo[1,2-a]pyridine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide (PubChem CID 95715110) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 3-[[(3S)-1-(imidazo[1,2-a]pyridine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name3-[[(3S)-1-(imidazo[1,2-a]pyridine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide
PubChem CID95715110
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name3-[[(3S)-1-(imidazo[1,2-a]pyridine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide
SMILESNC(=O)c1cccc(C[C@H]2CCN(C(=O)c3cnc4ccccn34)C2)c1
InChIInChI=1S/C20H20N4O2/c21-19(25)16-5-3-4-14(11-16)10-15-7-9-23(13-15)20(26)17-12-22-18-6-1-2-8-24(17)18/h1-6,8,11-12,15H,7,9-10,13H2,(H2,21,25)/t15-/m1/s1
InChIKeyOMJIAZAQMLAVTP-OAHLLOKOSA-N
XLogP2.14
TPSA80.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[1-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide
CID 56896634
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3-[[1-[2-(benzotriazol-2-yl)acetyl]pyrrolidin-3-yl]methyl]benzamide
CID 56912426
3-[[1-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetyl]pyrrolidin-3-yl]methyl]benzamide
CID 56897661
3-[[(3R)-1-[4-(tetrazol-1-yl)benzoyl]pyrrolidin-3-yl]methyl]benzamide
CID 95726343
3-[[1-[4-(tetrazol-1-yl)benzoyl]pyrrolidin-3-yl]methyl]benzamide
CID 56911445
3-[[1-(4-methyl-1H-pyrrole-2-carbonyl)pyrrolidin-3-yl]methyl]benzamide
CID 56911925
3-[[(3R)-1-[2-(azepan-1-yl)acetyl]pyrrolidin-3-yl]methyl]benzamide
CID 95711699
3-[[(3S)-1-(4-ethyl-2-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]methyl]benzamide
CID 95709175
imidazo[1,2-a]pyridin-3-yl-[(3R)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
CID 95553406
3-[[(3R)-1-[2-[cyclopentyl(methyl)amino]acetyl]pyrrolidin-3-yl]methyl]benzamide
CID 95728061
[(3R)-3-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 97193036

Frequently Asked Questions

What is the IUPAC name of 3-[[(3S)-1-(imidazo[1,2-a]pyridine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide?
The IUPAC name of 3-[[(3S)-1-(imidazo[1,2-a]pyridine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide (CID 95715110) is 3-[[(3S)-1-(imidazo[1,2-a]pyridine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide.
What is the SMILES notation for 3-[[(3S)-1-(imidazo[1,2-a]pyridine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide?
The canonical SMILES for 3-[[(3S)-1-(imidazo[1,2-a]pyridine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide is NC(=O)c1cccc(C[C@H]2CCN(C(=O)c3cnc4ccccn34)C2)c1.
What is the InChIKey of 3-[[(3S)-1-(imidazo[1,2-a]pyridine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide?
The InChIKey is OMJIAZAQMLAVTP-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H20N4O2/c21-19(25)16-5-3-4-14(11-16)10-15-7-9-23(13-15)20(26)17-12-22-18-6-1-2-8-24(17)18/h1-6,8,11-12,15H,7,9-10,13H2,(H2,21,25)/t15-/m1/s1.
What are the key properties of 3-[[(3S)-1-(imidazo[1,2-a]pyridine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide?
3-[[(3S)-1-(imidazo[1,2-a]pyridine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide has a molecular weight of 348.41 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3S)-1-(imidazo[1,2-a]pyridine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide is sourced from PubChem (CID 95715110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).