N-[8-amino-6-(3,5-dimethyl-2-oxo-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide

C22H18N6O3 — CID 135344418

IUPACN-[8-amino-6-(3,5-dimethyl-2-oxo-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide
SMILESCc1cc2c(cc1-c1cc3cc(NC(=O)C4CC4C#N)ncc3c(N)n1)oc(=O)n2C
InChIInChI=1S/C22H18N6O3/c1-10-3-17-18(31-22(30)28(17)2)7-13(10)16-5-11-6-19(25-9-15(11)20(24)26-16)27-21(29)14-4-12(14)8-23/h3,5-7,9,12,14H,4H2,1-2H3,(H2,24,26)(H,25,27,29)
InChIKeyJVOGMHDNKUMBJY-UHFFFAOYSA-N
MW414.43 g/mol
LogP2.73
Rot. Bonds3

About N-[8-amino-6-(3,5-dimethyl-2-oxo-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide

N-[8-amino-6-(3,5-dimethyl-2-oxo-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide (PubChem CID 135344418) has the molecular formula C22H18N6O3 and a molecular weight of 414.43 g/mol. Its IUPAC name is N-[8-amino-6-(3,5-dimethyl-2-oxo-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[8-amino-6-(3,5-dimethyl-2-oxo-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide
PubChem CID135344418
Molecular FormulaC22H18N6O3
Molecular Weight414.43 g/mol
Exact Mass414.14
IUPAC NameN-[8-amino-6-(3,5-dimethyl-2-oxo-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide
SMILESCc1cc2c(cc1-c1cc3cc(NC(=O)C4CC4C#N)ncc3c(N)n1)oc(=O)n2C
InChIInChI=1S/C22H18N6O3/c1-10-3-17-18(31-22(30)28(17)2)7-13(10)16-5-11-6-19(25-9-15(11)20(24)26-16)27-21(29)14-4-12(14)8-23/h3,5-7,9,12,14H,4H2,1-2H3,(H2,24,26)(H,25,27,29)
InChIKeyJVOGMHDNKUMBJY-UHFFFAOYSA-N
XLogP2.73
TPSA139.83 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.43
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[8-amino-6-(3,5-dimethyl-2-oxo-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-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-(3,5-dimethyl-2-oxo-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide?
The IUPAC name of N-[8-amino-6-(3,5-dimethyl-2-oxo-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide (CID 135344418) is N-[8-amino-6-(3,5-dimethyl-2-oxo-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide.
What is the SMILES notation for N-[8-amino-6-(3,5-dimethyl-2-oxo-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide?
The canonical SMILES for N-[8-amino-6-(3,5-dimethyl-2-oxo-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide is Cc1cc2c(cc1-c1cc3cc(NC(=O)C4CC4C#N)ncc3c(N)n1)oc(=O)n2C.
What is the InChIKey of N-[8-amino-6-(3,5-dimethyl-2-oxo-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide?
The InChIKey is JVOGMHDNKUMBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6O3/c1-10-3-17-18(31-22(30)28(17)2)7-13(10)16-5-11-6-19(25-9-15(11)20(24)26-16)27-21(29)14-4-12(14)8-23/h3,5-7,9,12,14H,4H2,1-2H3,(H2,24,26)(H,25,27,29).
What are the key properties of N-[8-amino-6-(3,5-dimethyl-2-oxo-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide?
N-[8-amino-6-(3,5-dimethyl-2-oxo-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide has a molecular weight of 414.43 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-amino-6-(3,5-dimethyl-2-oxo-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide is sourced from PubChem (CID 135344418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).