N-[8-amino-6-(2-chloro-6-methylphenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide

C21H18ClN5O — CID 135344570

IUPACN-[8-amino-6-(2-chloro-6-methylphenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide
SMILESCc1cccc(Cl)c1-c1cc2cc(NC(=O)C3CC3CC#N)ncc2c(N)n1
InChIInChI=1S/C21H18ClN5O/c1-11-3-2-4-16(22)19(11)17-8-13-9-18(25-10-15(13)20(24)26-17)27-21(28)14-7-12(14)5-6-23/h2-4,8-10,12,14H,5,7H2,1H3,(H2,24,26)(H,25,27,28)
InChIKeyGRTPUNGNZDYMEW-UHFFFAOYSA-N
MW391.86 g/mol
LogP4.33
Rot. Bonds4

About N-[8-amino-6-(2-chloro-6-methylphenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide

N-[8-amino-6-(2-chloro-6-methylphenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide (PubChem CID 135344570) has the molecular formula C21H18ClN5O and a molecular weight of 391.86 g/mol. Its IUPAC name is N-[8-amino-6-(2-chloro-6-methylphenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[8-amino-6-(2-chloro-6-methylphenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide
PubChem CID135344570
Molecular FormulaC21H18ClN5O
Molecular Weight391.86 g/mol
Exact Mass391.12
IUPAC NameN-[8-amino-6-(2-chloro-6-methylphenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide
SMILESCc1cccc(Cl)c1-c1cc2cc(NC(=O)C3CC3CC#N)ncc2c(N)n1
InChIInChI=1S/C21H18ClN5O/c1-11-3-2-4-16(22)19(11)17-8-13-9-18(25-10-15(13)20(24)26-17)27-21(28)14-7-12(14)5-6-23/h2-4,8-10,12,14H,5,7H2,1H3,(H2,24,26)(H,25,27,28)
InChIKeyGRTPUNGNZDYMEW-UHFFFAOYSA-N
XLogP4.33
TPSA104.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.86
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[8-amino-6-(2-chloro-6-methylphenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-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-[8-amino-6-(2-chloro-6-methylphenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[8-amino-6-(2-chloro-6-methylphenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide (CID 135344570) is N-[8-amino-6-(2-chloro-6-methylphenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[8-amino-6-(2-chloro-6-methylphenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[8-amino-6-(2-chloro-6-methylphenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide is Cc1cccc(Cl)c1-c1cc2cc(NC(=O)C3CC3CC#N)ncc2c(N)n1.
What is the InChIKey of N-[8-amino-6-(2-chloro-6-methylphenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide?
The InChIKey is GRTPUNGNZDYMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN5O/c1-11-3-2-4-16(22)19(11)17-8-13-9-18(25-10-15(13)20(24)26-17)27-21(28)14-7-12(14)5-6-23/h2-4,8-10,12,14H,5,7H2,1H3,(H2,24,26)(H,25,27,28).
What are the key properties of N-[8-amino-6-(2-chloro-6-methylphenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide?
N-[8-amino-6-(2-chloro-6-methylphenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide has a molecular weight of 391.86 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-amino-6-(2-chloro-6-methylphenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 135344570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).