3-chloro-N-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]-5-(2-oxopyrrolidin-1-yl)benzamide

C19H18ClN5O2 — CID 166311355

IUPAC3-chloro-N-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]-5-(2-oxopyrrolidin-1-yl)benzamide
SMILESCn1c(CNC(=O)c2cc(Cl)cc(N3CCCC3=O)c2)nc2cccnc21
InChIInChI=1S/C19H18ClN5O2/c1-24-16(23-15-4-2-6-21-18(15)24)11-22-19(27)12-8-13(20)10-14(9-12)25-7-3-5-17(25)26/h2,4,6,8-10H,3,5,7,11H2,1H3,(H,22,27)
InChIKeyOXYYMMFKIZGRPJ-UHFFFAOYSA-N
MW383.84 g/mol
LogP2.68
Rot. Bonds4

About 3-chloro-N-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]-5-(2-oxopyrrolidin-1-yl)benzamide

3-chloro-N-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]-5-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 166311355) has the molecular formula C19H18ClN5O2 and a molecular weight of 383.84 g/mol. Its IUPAC name is 3-chloro-N-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]-5-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound Name3-chloro-N-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]-5-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID166311355
Molecular FormulaC19H18ClN5O2
Molecular Weight383.84 g/mol
Exact Mass383.11
IUPAC Name3-chloro-N-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]-5-(2-oxopyrrolidin-1-yl)benzamide
SMILESCn1c(CNC(=O)c2cc(Cl)cc(N3CCCC3=O)c2)nc2cccnc21
InChIInChI=1S/C19H18ClN5O2/c1-24-16(23-15-4-2-6-21-18(15)24)11-22-19(27)12-8-13(20)10-14(9-12)25-7-3-5-17(25)26/h2,4,6,8-10H,3,5,7,11H2,1H3,(H,22,27)
InChIKeyOXYYMMFKIZGRPJ-UHFFFAOYSA-N
XLogP2.68
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-methylbenzimidazol-2-yl)methyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 17476675
3-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]-5-(2-oxopyrrolidin-1-yl)benzamide
CID 45137636
2-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine;hydroiodide
CID 111413849
4-chloro-3-(2-methylimidazo[4,5-b]pyridin-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 46277437
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyridine-2-carboxamide
CID 8588320
4-(2-oxopyrrolidin-1-yl)-N-[2-(pyrimidin-2-ylamino)ethyl]benzamide
CID 51081174
4-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]benzoic acid
CID 117166768
3-[(1-methylbenzimidazol-2-yl)methylcarbamoyl]benzoic acid
CID 75514350
4-chloro-N-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide
CID 53011009
3-chloro-N-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide
CID 156599916
N-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]cyclopentanamine
CID 63756238
N-(3-hydroxy-2,2,4-trimethylpentyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 109381238

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]-5-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of 3-chloro-N-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]-5-(2-oxopyrrolidin-1-yl)benzamide (CID 166311355) is 3-chloro-N-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]-5-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for 3-chloro-N-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]-5-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for 3-chloro-N-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]-5-(2-oxopyrrolidin-1-yl)benzamide is Cn1c(CNC(=O)c2cc(Cl)cc(N3CCCC3=O)c2)nc2cccnc21.
What is the InChIKey of 3-chloro-N-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]-5-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is OXYYMMFKIZGRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O2/c1-24-16(23-15-4-2-6-21-18(15)24)11-22-19(27)12-8-13(20)10-14(9-12)25-7-3-5-17(25)26/h2,4,6,8-10H,3,5,7,11H2,1H3,(H,22,27).
What are the key properties of 3-chloro-N-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]-5-(2-oxopyrrolidin-1-yl)benzamide?
3-chloro-N-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]-5-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 383.84 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]-5-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 166311355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).