2-chloro-4-[1-(2-oxopyrrolidin-1-yl)propan-2-ylcarbamoylamino]-N-(pyridin-2-ylmethyl)benzamide

C21H24ClN5O3 — CID 47050942

IUPAC2-chloro-4-[1-(2-oxopyrrolidin-1-yl)propan-2-ylcarbamoylamino]-N-(pyridin-2-ylmethyl)benzamide
SMILESCC(CN1CCCC1=O)NC(=O)Nc1ccc(C(=O)NCc2ccccn2)c(Cl)c1
InChIInChI=1S/C21H24ClN5O3/c1-14(13-27-10-4-6-19(27)28)25-21(30)26-15-7-8-17(18(22)11-15)20(29)24-12-16-5-2-3-9-23-16/h2-3,5,7-9,11,14H,4,6,10,12-13H2,1H3,(H,24,29)(H2,25,26,30)
InChIKeyULKSDRODGYXFLV-UHFFFAOYSA-N
MW429.91 g/mol
LogP2.80
Rot. Bonds7

About 2-chloro-4-[1-(2-oxopyrrolidin-1-yl)propan-2-ylcarbamoylamino]-N-(pyridin-2-ylmethyl)benzamide

2-chloro-4-[1-(2-oxopyrrolidin-1-yl)propan-2-ylcarbamoylamino]-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 47050942) has the molecular formula C21H24ClN5O3 and a molecular weight of 429.91 g/mol. Its IUPAC name is 2-chloro-4-[1-(2-oxopyrrolidin-1-yl)propan-2-ylcarbamoylamino]-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-chloro-4-[1-(2-oxopyrrolidin-1-yl)propan-2-ylcarbamoylamino]-N-(pyridin-2-ylmethyl)benzamide
PubChem CID47050942
Molecular FormulaC21H24ClN5O3
Molecular Weight429.91 g/mol
Exact Mass429.16
IUPAC Name2-chloro-4-[1-(2-oxopyrrolidin-1-yl)propan-2-ylcarbamoylamino]-N-(pyridin-2-ylmethyl)benzamide
SMILESCC(CN1CCCC1=O)NC(=O)Nc1ccc(C(=O)NCc2ccccn2)c(Cl)c1
InChIInChI=1S/C21H24ClN5O3/c1-14(13-27-10-4-6-19(27)28)25-21(30)26-15-7-8-17(18(22)11-15)20(29)24-12-16-5-2-3-9-23-16/h2-3,5,7-9,11,14H,4,6,10,12-13H2,1H3,(H,24,29)(H2,25,26,30)
InChIKeyULKSDRODGYXFLV-UHFFFAOYSA-N
XLogP2.80
TPSA103.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.91
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-chloro-4-[1-(2-oxopyrrolidin-1-yl)propan-2-ylcarbamoylamino]-N-(pyridin-2-ylmethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[1-(2-oxopyrrolidin-1-yl)propan-2-ylcarbamoylamino]-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 2-chloro-4-[1-(2-oxopyrrolidin-1-yl)propan-2-ylcarbamoylamino]-N-(pyridin-2-ylmethyl)benzamide (CID 47050942) is 2-chloro-4-[1-(2-oxopyrrolidin-1-yl)propan-2-ylcarbamoylamino]-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 2-chloro-4-[1-(2-oxopyrrolidin-1-yl)propan-2-ylcarbamoylamino]-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 2-chloro-4-[1-(2-oxopyrrolidin-1-yl)propan-2-ylcarbamoylamino]-N-(pyridin-2-ylmethyl)benzamide is CC(CN1CCCC1=O)NC(=O)Nc1ccc(C(=O)NCc2ccccn2)c(Cl)c1.
What is the InChIKey of 2-chloro-4-[1-(2-oxopyrrolidin-1-yl)propan-2-ylcarbamoylamino]-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is ULKSDRODGYXFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN5O3/c1-14(13-27-10-4-6-19(27)28)25-21(30)26-15-7-8-17(18(22)11-15)20(29)24-12-16-5-2-3-9-23-16/h2-3,5,7-9,11,14H,4,6,10,12-13H2,1H3,(H,24,29)(H2,25,26,30).
What are the key properties of 2-chloro-4-[1-(2-oxopyrrolidin-1-yl)propan-2-ylcarbamoylamino]-N-(pyridin-2-ylmethyl)benzamide?
2-chloro-4-[1-(2-oxopyrrolidin-1-yl)propan-2-ylcarbamoylamino]-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 429.91 g/mol, XLogP of 2.80, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[1-(2-oxopyrrolidin-1-yl)propan-2-ylcarbamoylamino]-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 47050942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).