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

C21H22ClN5O2 — CID 46277437

IUPAC4-chloro-3-(2-methylimidazo[4,5-b]pyridin-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
SMILESCc1nc2cccnc2n1-c1cc(C(=O)NCCCN2CCCC2=O)ccc1Cl
InChIInChI=1S/C21H22ClN5O2/c1-14-25-17-5-2-9-23-20(17)27(14)18-13-15(7-8-16(18)22)21(29)24-10-4-12-26-11-3-6-19(26)28/h2,5,7-9,13H,3-4,6,10-12H2,1H3,(H,24,29)
InChIKeyUGSMKUWYHPUNNN-UHFFFAOYSA-N
MW411.89 g/mol
LogP3.12
Rot. Bonds6

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

4-chloro-3-(2-methylimidazo[4,5-b]pyridin-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide (PubChem CID 46277437) has the molecular formula C21H22ClN5O2 and a molecular weight of 411.89 g/mol. Its IUPAC name is 4-chloro-3-(2-methylimidazo[4,5-b]pyridin-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide.

Molecular Properties

Compound Name4-chloro-3-(2-methylimidazo[4,5-b]pyridin-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
PubChem CID46277437
Molecular FormulaC21H22ClN5O2
Molecular Weight411.89 g/mol
Exact Mass411.15
IUPAC Name4-chloro-3-(2-methylimidazo[4,5-b]pyridin-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
SMILESCc1nc2cccnc2n1-c1cc(C(=O)NCCCN2CCCC2=O)ccc1Cl
InChIInChI=1S/C21H22ClN5O2/c1-14-25-17-5-2-9-23-20(17)27(14)18-13-15(7-8-16(18)22)21(29)24-10-4-12-26-11-3-6-19(26)28/h2,5,7-9,13H,3-4,6,10-12H2,1H3,(H,24,29)
InChIKeyUGSMKUWYHPUNNN-UHFFFAOYSA-N
XLogP3.12
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.89
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-chloro-3-(2-methylimidazo[4,5-b]pyridin-3-yl)-N-[(3R)-3-pyrrolidin-1-ylbutyl]benzamide
CID 92864305
3,4-dichloro-N-[3-(2-oxoazepan-1-yl)propyl]benzamide
CID 78802534
3-amino-4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 89388512
4-chloro-N-(furan-2-ylmethyl)-3-(2-methylimidazo[4,5-b]pyridin-3-yl)benzamide
CID 46277417
3-chloro-4-iodo-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 103734648
4-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-3-(2-methylimidazo[4,5-b]pyridin-3-yl)benzamide
CID 92886823
N-(2-methoxyethyl)-4-methyl-3-(2-methylimidazo[4,5-b]pyridin-3-yl)benzamide
CID 46277332
4-chloro-N-(2-chloro-4-methylphenyl)-3-(2-methylimidazo[4,5-b]pyridin-3-yl)benzamide
CID 46277432
[4-chloro-3-(2-methylimidazo[4,5-b]pyridin-3-yl)phenyl]-(2,3-dihydroindol-1-yl)methanone
CID 46277418
3-(2-methylimidazo[4,5-b]pyridin-3-yl)-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 46277271
3-acetamido-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 30482762
5,6-dichloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide
CID 60635904

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(2-methylimidazo[4,5-b]pyridin-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide?
The IUPAC name of 4-chloro-3-(2-methylimidazo[4,5-b]pyridin-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide (CID 46277437) is 4-chloro-3-(2-methylimidazo[4,5-b]pyridin-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide.
What is the SMILES notation for 4-chloro-3-(2-methylimidazo[4,5-b]pyridin-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide?
The canonical SMILES for 4-chloro-3-(2-methylimidazo[4,5-b]pyridin-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide is Cc1nc2cccnc2n1-c1cc(C(=O)NCCCN2CCCC2=O)ccc1Cl.
What is the InChIKey of 4-chloro-3-(2-methylimidazo[4,5-b]pyridin-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide?
The InChIKey is UGSMKUWYHPUNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN5O2/c1-14-25-17-5-2-9-23-20(17)27(14)18-13-15(7-8-16(18)22)21(29)24-10-4-12-26-11-3-6-19(26)28/h2,5,7-9,13H,3-4,6,10-12H2,1H3,(H,24,29).
What are the key properties of 4-chloro-3-(2-methylimidazo[4,5-b]pyridin-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide?
4-chloro-3-(2-methylimidazo[4,5-b]pyridin-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide has a molecular weight of 411.89 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(2-methylimidazo[4,5-b]pyridin-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide is sourced from PubChem (CID 46277437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).