N-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide

C21H19N5O — CID 158576696

IUPACN-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide
SMILESCCc1ccccc1-c1cc2cc(NC(=O)C3CC3C#N)ncc2c(N)n1
InChIInChI=1S/C21H19N5O/c1-2-12-5-3-4-6-15(12)18-8-13-9-19(24-11-17(13)20(23)25-18)26-21(27)16-7-14(16)10-22/h3-6,8-9,11,14,16H,2,7H2,1H3,(H2,23,25)(H,24,26,27)
InChIKeyPYVMMEWPOIKYEX-UHFFFAOYSA-N
MW357.42 g/mol
LogP3.54
Rot. Bonds4

About N-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide

N-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide (PubChem CID 158576696) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is N-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide
PubChem CID158576696
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC NameN-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide
SMILESCCc1ccccc1-c1cc2cc(NC(=O)C3CC3C#N)ncc2c(N)n1
InChIInChI=1S/C21H19N5O/c1-2-12-5-3-4-6-15(12)18-8-13-9-19(24-11-17(13)20(23)25-18)26-21(27)16-7-14(16)10-22/h3-6,8-9,11,14,16H,2,7H2,1H3,(H2,23,25)(H,24,26,27)
InChIKeyPYVMMEWPOIKYEX-UHFFFAOYSA-N
XLogP3.54
TPSA104.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

cis-(1R,2R)-N-[8-amino-6-[2-(2-hydroxy-2-methylpropyl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide
CID 157087111
cis-(1S,2S)-N-[8-amino-6-(2-cyanophenyl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide
CID 139469002
N-[8-amino-6-(4-propan-2-yl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide
CID 135344416
(2S)-N-[8-amino-6-(5-propan-2-yl-1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide
CID 139468746
cis-(1S,2S)-N-[8-amino-6-[2-(2-hydroxyethyl)phenyl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide
CID 158323167
(1S)-N-[8-amino-6-(3-hydroxy-6-methyl-2-oxo-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide
CID 139468593
(2R)-N-[8-amino-6-[2-(methoxymethyl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;(1S,2S,5R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-isocyanobicyclo[3.1.0]hexane-6-carboxamide;(1S,2R,5R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-isocyanobicyclo[3.1.0]hexane-6-carboxamide;cis-(1S,2S)-N-[8-amino-6-[2-(methoxymethyl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[2-(2-methoxyethyl)phenyl]-2,7-naphthyridin-3-yl]-2-isocyanocyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-[2-(2-methoxyethyl)phenyl]-2,7-naphthyridin-3-yl]-2-isocyanocyclopropane-1-carboxamide
CID 161107289
N-[8-amino-6-(4-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 135344454
N-[8-amino-6-(3-ethyl-1-methyl-6-oxo-2-pyridinyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide
CID 135342493
cis-(1R,2R)-N-[8-amino-6-(3-ethyl-1-methyl-6-oxo-2-pyridinyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide
CID 135343613
N-[8-amino-6-(4-methyl-6-phenyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide
CID 135344747
(2R)-N-[8-amino-6-(5-methyl-2-oxo-3H-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;(2S)-N-[8-amino-6-(5-methyl-2-oxo-3H-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2S)-2-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide;cis-(1S,2R)-2-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide;cis-(1S,2R)-1-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-N-ethylcyclopropane-1,2-dicarboxamide;cis-(1R,2S)-1-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-N-ethylcyclopropane-1,2-dicarboxamide;trans-(1R,2R)-2-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide;trans-(1S,2S)-2-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide
CID 159142148

Frequently Asked Questions

What is the IUPAC name of N-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide?
The IUPAC name of N-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide (CID 158576696) is N-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide.
What is the SMILES notation for N-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide?
The canonical SMILES for N-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide is CCc1ccccc1-c1cc2cc(NC(=O)C3CC3C#N)ncc2c(N)n1.
What is the InChIKey of N-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide?
The InChIKey is PYVMMEWPOIKYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O/c1-2-12-5-3-4-6-15(12)18-8-13-9-19(24-11-17(13)20(23)25-18)26-21(27)16-7-14(16)10-22/h3-6,8-9,11,14,16H,2,7H2,1H3,(H2,23,25)(H,24,26,27).
What are the key properties of N-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide?
N-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide has a molecular weight of 357.42 g/mol, XLogP of 3.54, 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-ethylphenyl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide is sourced from PubChem (CID 158576696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).