9-(2-aminoprop-2-enyl)-2-(benzylamino)pyrido[2,3-b]indole-3-carboxamide

C22H21N5O — CID 89341066

IUPAC9-(2-aminoprop-2-enyl)-2-(benzylamino)pyrido[2,3-b]indole-3-carboxamide
SMILESC=C(N)Cn1c2ccccc2c2cc(C(N)=O)c(NCc3ccccc3)nc21
InChIInChI=1S/C22H21N5O/c1-14(23)13-27-19-10-6-5-9-16(19)17-11-18(20(24)28)21(26-22(17)27)25-12-15-7-3-2-4-8-15/h2-11H,1,12-13,23H2,(H2,24,28)(H,25,26)
InChIKeyNMLVCULTENEEMB-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.37
Rot. Bonds6

About 9-(2-aminoprop-2-enyl)-2-(benzylamino)pyrido[2,3-b]indole-3-carboxamide

9-(2-aminoprop-2-enyl)-2-(benzylamino)pyrido[2,3-b]indole-3-carboxamide (PubChem CID 89341066) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is 9-(2-aminoprop-2-enyl)-2-(benzylamino)pyrido[2,3-b]indole-3-carboxamide.

Molecular Properties

Compound Name9-(2-aminoprop-2-enyl)-2-(benzylamino)pyrido[2,3-b]indole-3-carboxamide
PubChem CID89341066
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC Name9-(2-aminoprop-2-enyl)-2-(benzylamino)pyrido[2,3-b]indole-3-carboxamide
SMILESC=C(N)Cn1c2ccccc2c2cc(C(N)=O)c(NCc3ccccc3)nc21
InChIInChI=1S/C22H21N5O/c1-14(23)13-27-19-10-6-5-9-16(19)17-11-18(20(24)28)21(26-22(17)27)25-12-15-7-3-2-4-8-15/h2-11H,1,12-13,23H2,(H2,24,28)(H,25,26)
InChIKeyNMLVCULTENEEMB-UHFFFAOYSA-N
XLogP3.37
TPSA98.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 9-(2-aminoprop-2-enyl)-2-(benzylamino)pyrido[2,3-b]indole-3-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 9-(2-aminoprop-2-enyl)-2-(benzylamino)pyrido[2,3-b]indole-3-carboxamide?
The IUPAC name of 9-(2-aminoprop-2-enyl)-2-(benzylamino)pyrido[2,3-b]indole-3-carboxamide (CID 89341066) is 9-(2-aminoprop-2-enyl)-2-(benzylamino)pyrido[2,3-b]indole-3-carboxamide.
What is the SMILES notation for 9-(2-aminoprop-2-enyl)-2-(benzylamino)pyrido[2,3-b]indole-3-carboxamide?
The canonical SMILES for 9-(2-aminoprop-2-enyl)-2-(benzylamino)pyrido[2,3-b]indole-3-carboxamide is C=C(N)Cn1c2ccccc2c2cc(C(N)=O)c(NCc3ccccc3)nc21.
What is the InChIKey of 9-(2-aminoprop-2-enyl)-2-(benzylamino)pyrido[2,3-b]indole-3-carboxamide?
The InChIKey is NMLVCULTENEEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c1-14(23)13-27-19-10-6-5-9-16(19)17-11-18(20(24)28)21(26-22(17)27)25-12-15-7-3-2-4-8-15/h2-11H,1,12-13,23H2,(H2,24,28)(H,25,26).
What are the key properties of 9-(2-aminoprop-2-enyl)-2-(benzylamino)pyrido[2,3-b]indole-3-carboxamide?
9-(2-aminoprop-2-enyl)-2-(benzylamino)pyrido[2,3-b]indole-3-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 3.37, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-aminoprop-2-enyl)-2-(benzylamino)pyrido[2,3-b]indole-3-carboxamide is sourced from PubChem (CID 89341066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).