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

C22H21N5O — CID 158074691

IUPAC(1R,2R,3R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)-3-methylcyclopropane-1-carboxamide
SMILESCc1ccccc1-c1cc2cc(NC(=O)[C@@H]3[C@H](C)[C@H]3CC#N)ncc2c(N)n1
InChIInChI=1S/C22H21N5O/c1-12-5-3-4-6-15(12)18-9-14-10-19(25-11-17(14)21(24)26-18)27-22(28)20-13(2)16(20)7-8-23/h3-6,9-11,13,16,20H,7H2,1-2H3,(H2,24,26)(H,25,27,28)/t13-,16-,20-/m1/s1
InChIKeyLBIAWNUHOVXMKR-OWDMVUQNSA-N
MW371.44 g/mol
LogP3.92
Rot. Bonds4

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

(1R,2R,3R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)-3-methylcyclopropane-1-carboxamide (PubChem CID 158074691) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is (1R,2R,3R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)-3-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1R,2R,3R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)-3-methylcyclopropane-1-carboxamide
PubChem CID158074691
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC Name(1R,2R,3R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)-3-methylcyclopropane-1-carboxamide
SMILESCc1ccccc1-c1cc2cc(NC(=O)[C@@H]3[C@H](C)[C@H]3CC#N)ncc2c(N)n1
InChIInChI=1S/C22H21N5O/c1-12-5-3-4-6-15(12)18-9-14-10-19(25-11-17(14)21(24)26-18)27-22(28)20-13(2)16(20)7-8-23/h3-6,9-11,13,16,20H,7H2,1-2H3,(H2,24,26)(H,25,27,28)/t13-,16-,20-/m1/s1
InChIKeyLBIAWNUHOVXMKR-OWDMVUQNSA-N
XLogP3.92
TPSA104.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (1R,2R,3R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)-3-methylcyclopropane-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

Related Compounds

(1S,2S,3R)-N-[8-amino-6-(2-methylphenyl)isoquinolin-3-yl]-2-(cyanomethyl)-3-methylcyclopropane-1-carboxamide
CID 157219996
(1S,2R,3S)-N-[8-amino-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]-2-(cyanomethyl)-3-methylcyclopropane-1-carboxamide
CID 167844823
N-[8-amino-6-(4-methyl-6-phenyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide
CID 135344747
trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 158709120
cis-(1S,2R)-N-[8-amino-6-(2-fluoro-6-methylphenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide
CID 135345456
N-[8-amino-6-(2-chloro-6-methylphenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide
CID 135344570
(1R,5S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-morpholin-4-ylbicyclo[3.1.0]hexane-6-carboxamide
CID 158533102
N-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide
CID 158576696
cis-(1R,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(oxan-4-yl)cyclopropane-1-carboxamide
CID 158215119
(E)-N'-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-N-(cyanomethyl)but-2-enediamide
CID 155478679
(2R,3R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide
CID 158742081
cis-(1S,2S)-N-[8-amino-6-(2-cyanophenyl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide
CID 139469002

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)-3-methylcyclopropane-1-carboxamide?
The IUPAC name of (1R,2R,3R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)-3-methylcyclopropane-1-carboxamide (CID 158074691) is (1R,2R,3R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)-3-methylcyclopropane-1-carboxamide.
What is the SMILES notation for (1R,2R,3R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)-3-methylcyclopropane-1-carboxamide?
The canonical SMILES for (1R,2R,3R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)-3-methylcyclopropane-1-carboxamide is Cc1ccccc1-c1cc2cc(NC(=O)[C@@H]3[C@H](C)[C@H]3CC#N)ncc2c(N)n1.
What is the InChIKey of (1R,2R,3R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)-3-methylcyclopropane-1-carboxamide?
The InChIKey is LBIAWNUHOVXMKR-OWDMVUQNSA-N. The full InChI is InChI=1S/C22H21N5O/c1-12-5-3-4-6-15(12)18-9-14-10-19(25-11-17(14)21(24)26-18)27-22(28)20-13(2)16(20)7-8-23/h3-6,9-11,13,16,20H,7H2,1-2H3,(H2,24,26)(H,25,27,28)/t13-,16-,20-/m1/s1.
What are the key properties of (1R,2R,3R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)-3-methylcyclopropane-1-carboxamide?
(1R,2R,3R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)-3-methylcyclopropane-1-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)-3-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 158074691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).