N-[3-[3-(cyclopropanecarbonylamino)isoquinolin-7-yl]-4-methylphenyl]pyrrolidine-1-carboxamide

C25H26N4O2 — CID 71115351

IUPACN-[3-[3-(cyclopropanecarbonylamino)isoquinolin-7-yl]-4-methylphenyl]pyrrolidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCCC2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
InChIInChI=1S/C25H26N4O2/c1-16-4-9-21(27-25(31)29-10-2-3-11-29)14-22(16)19-8-7-18-13-23(26-15-20(18)12-19)28-24(30)17-5-6-17/h4,7-9,12-15,17H,2-3,5-6,10-11H2,1H3,(H,27,31)(H,26,28,30)
InChIKeyOMEPDKPBROMBIH-UHFFFAOYSA-N
MW414.51 g/mol
LogP5.19
Rot. Bonds4

About N-[3-[3-(cyclopropanecarbonylamino)isoquinolin-7-yl]-4-methylphenyl]pyrrolidine-1-carboxamide

N-[3-[3-(cyclopropanecarbonylamino)isoquinolin-7-yl]-4-methylphenyl]pyrrolidine-1-carboxamide (PubChem CID 71115351) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-[3-[3-(cyclopropanecarbonylamino)isoquinolin-7-yl]-4-methylphenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-[3-(cyclopropanecarbonylamino)isoquinolin-7-yl]-4-methylphenyl]pyrrolidine-1-carboxamide
PubChem CID71115351
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC NameN-[3-[3-(cyclopropanecarbonylamino)isoquinolin-7-yl]-4-methylphenyl]pyrrolidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCCC2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
InChIInChI=1S/C25H26N4O2/c1-16-4-9-21(27-25(31)29-10-2-3-11-29)14-22(16)19-8-7-18-13-23(26-15-20(18)12-19)28-24(30)17-5-6-17/h4,7-9,12-15,17H,2-3,5-6,10-11H2,1H3,(H,27,31)(H,26,28,30)
InChIKeyOMEPDKPBROMBIH-UHFFFAOYSA-N
XLogP5.19
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.51
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[3-[3-(cyclopropanecarbonylamino)isoquinolin-7-yl]-4-methylphenyl]pyrrolidine-1-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 N-[3-[3-(cyclopropanecarbonylamino)isoquinolin-7-yl]-4-methylphenyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[3-[3-(cyclopropanecarbonylamino)isoquinolin-7-yl]-4-methylphenyl]pyrrolidine-1-carboxamide (CID 71115351) is N-[3-[3-(cyclopropanecarbonylamino)isoquinolin-7-yl]-4-methylphenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[3-[3-(cyclopropanecarbonylamino)isoquinolin-7-yl]-4-methylphenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[3-[3-(cyclopropanecarbonylamino)isoquinolin-7-yl]-4-methylphenyl]pyrrolidine-1-carboxamide is Cc1ccc(NC(=O)N2CCCC2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1.
What is the InChIKey of N-[3-[3-(cyclopropanecarbonylamino)isoquinolin-7-yl]-4-methylphenyl]pyrrolidine-1-carboxamide?
The InChIKey is OMEPDKPBROMBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c1-16-4-9-21(27-25(31)29-10-2-3-11-29)14-22(16)19-8-7-18-13-23(26-15-20(18)12-19)28-24(30)17-5-6-17/h4,7-9,12-15,17H,2-3,5-6,10-11H2,1H3,(H,27,31)(H,26,28,30).
What are the key properties of N-[3-[3-(cyclopropanecarbonylamino)isoquinolin-7-yl]-4-methylphenyl]pyrrolidine-1-carboxamide?
N-[3-[3-(cyclopropanecarbonylamino)isoquinolin-7-yl]-4-methylphenyl]pyrrolidine-1-carboxamide has a molecular weight of 414.51 g/mol, XLogP of 5.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(cyclopropanecarbonylamino)isoquinolin-7-yl]-4-methylphenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 71115351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).