5-chloro-N-[2-[2-[1-hydroxy-2-[methyl(pyridin-2-yl)amino]-2-oxoethyl]phenyl]ethyl]-1H-indole-2-carboxamide

C25H23ClN4O3 — CID 10161833

IUPAC5-chloro-N-[2-[2-[1-hydroxy-2-[methyl(pyridin-2-yl)amino]-2-oxoethyl]phenyl]ethyl]-1H-indole-2-carboxamide
SMILESCN(C(=O)C(O)c1ccccc1CCNC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccccn1
InChIInChI=1S/C25H23ClN4O3/c1-30(22-8-4-5-12-27-22)25(33)23(31)19-7-3-2-6-16(19)11-13-28-24(32)21-15-17-14-18(26)9-10-20(17)29-21/h2-10,12,14-15,23,29,31H,11,13H2,1H3,(H,28,32)
InChIKeyPRZQBYWNGSLJQZ-UHFFFAOYSA-N
MW462.94 g/mol
LogP3.89
Rot. Bonds7

About 5-chloro-N-[2-[2-[1-hydroxy-2-[methyl(pyridin-2-yl)amino]-2-oxoethyl]phenyl]ethyl]-1H-indole-2-carboxamide

5-chloro-N-[2-[2-[1-hydroxy-2-[methyl(pyridin-2-yl)amino]-2-oxoethyl]phenyl]ethyl]-1H-indole-2-carboxamide (PubChem CID 10161833) has the molecular formula C25H23ClN4O3 and a molecular weight of 462.94 g/mol. Its IUPAC name is 5-chloro-N-[2-[2-[1-hydroxy-2-[methyl(pyridin-2-yl)amino]-2-oxoethyl]phenyl]ethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-[2-[1-hydroxy-2-[methyl(pyridin-2-yl)amino]-2-oxoethyl]phenyl]ethyl]-1H-indole-2-carboxamide
PubChem CID10161833
Molecular FormulaC25H23ClN4O3
Molecular Weight462.94 g/mol
Exact Mass462.15
IUPAC Name5-chloro-N-[2-[2-[1-hydroxy-2-[methyl(pyridin-2-yl)amino]-2-oxoethyl]phenyl]ethyl]-1H-indole-2-carboxamide
SMILESCN(C(=O)C(O)c1ccccc1CCNC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccccn1
InChIInChI=1S/C25H23ClN4O3/c1-30(22-8-4-5-12-27-22)25(33)23(31)19-7-3-2-6-16(19)11-13-28-24(32)21-15-17-14-18(26)9-10-20(17)29-21/h2-10,12,14-15,23,29,31H,11,13H2,1H3,(H,28,32)
InChIKeyPRZQBYWNGSLJQZ-UHFFFAOYSA-N
XLogP3.89
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.94
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-chloro-N-[2-[2-[1-hydroxy-2-[methyl(pyridin-2-yl)amino]-2-oxoethyl]phenyl]ethyl]-1H-indole-2-carboxamide 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 5-chloro-N-[2-[2-[1-hydroxy-2-[methyl(pyridin-2-yl)amino]-2-oxoethyl]phenyl]ethyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-[2-[1-hydroxy-2-[methyl(pyridin-2-yl)amino]-2-oxoethyl]phenyl]ethyl]-1H-indole-2-carboxamide (CID 10161833) is 5-chloro-N-[2-[2-[1-hydroxy-2-[methyl(pyridin-2-yl)amino]-2-oxoethyl]phenyl]ethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-[2-[1-hydroxy-2-[methyl(pyridin-2-yl)amino]-2-oxoethyl]phenyl]ethyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-[2-[1-hydroxy-2-[methyl(pyridin-2-yl)amino]-2-oxoethyl]phenyl]ethyl]-1H-indole-2-carboxamide is CN(C(=O)C(O)c1ccccc1CCNC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccccn1.
What is the InChIKey of 5-chloro-N-[2-[2-[1-hydroxy-2-[methyl(pyridin-2-yl)amino]-2-oxoethyl]phenyl]ethyl]-1H-indole-2-carboxamide?
The InChIKey is PRZQBYWNGSLJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN4O3/c1-30(22-8-4-5-12-27-22)25(33)23(31)19-7-3-2-6-16(19)11-13-28-24(32)21-15-17-14-18(26)9-10-20(17)29-21/h2-10,12,14-15,23,29,31H,11,13H2,1H3,(H,28,32).
What are the key properties of 5-chloro-N-[2-[2-[1-hydroxy-2-[methyl(pyridin-2-yl)amino]-2-oxoethyl]phenyl]ethyl]-1H-indole-2-carboxamide?
5-chloro-N-[2-[2-[1-hydroxy-2-[methyl(pyridin-2-yl)amino]-2-oxoethyl]phenyl]ethyl]-1H-indole-2-carboxamide has a molecular weight of 462.94 g/mol, XLogP of 3.89, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-[2-[1-hydroxy-2-[methyl(pyridin-2-yl)amino]-2-oxoethyl]phenyl]ethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 10161833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).