(2R)-N-[8-amino-6-(5-methyl-2-oxo-3H-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide

C21H19N5O3 — CID 142447413

IUPAC(2R)-N-[8-amino-6-(5-methyl-2-oxo-3H-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide
SMILESCc1cc2[nH]c(=O)oc2cc1-c1cc2cc(NC(=O)C3C[C@H]3C)ncc2c(N)n1
InChIInChI=1S/C21H19N5O3/c1-9-3-13(9)20(27)26-18-6-11-5-15(24-19(22)14(11)8-23-18)12-7-17-16(4-10(12)2)25-21(28)29-17/h4-9,13H,3H2,1-2H3,(H2,22,24)(H,25,28)(H,23,26,27)/t9-,13?/m1/s1
InChIKeyNUNQFUBJFLLGIC-CGCSKFHYSA-N
MW389.42 g/mol
LogP3.22
Rot. Bonds3

About (2R)-N-[8-amino-6-(5-methyl-2-oxo-3H-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide

(2R)-N-[8-amino-6-(5-methyl-2-oxo-3H-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide (PubChem CID 142447413) has the molecular formula C21H19N5O3 and a molecular weight of 389.42 g/mol. Its IUPAC name is (2R)-N-[8-amino-6-(5-methyl-2-oxo-3H-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-[8-amino-6-(5-methyl-2-oxo-3H-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide
PubChem CID142447413
Molecular FormulaC21H19N5O3
Molecular Weight389.42 g/mol
Exact Mass389.15
IUPAC Name(2R)-N-[8-amino-6-(5-methyl-2-oxo-3H-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide
SMILESCc1cc2[nH]c(=O)oc2cc1-c1cc2cc(NC(=O)C3C[C@H]3C)ncc2c(N)n1
InChIInChI=1S/C21H19N5O3/c1-9-3-13(9)20(27)26-18-6-11-5-15(24-19(22)14(11)8-23-18)12-7-17-16(4-10(12)2)25-21(28)29-17/h4-9,13H,3H2,1-2H3,(H2,22,24)(H,25,28)(H,23,26,27)/t9-,13?/m1/s1
InChIKeyNUNQFUBJFLLGIC-CGCSKFHYSA-N
XLogP3.22
TPSA126.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2R)-N-[8-amino-6-(5-methyl-2-oxo-3H-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide with MolForge

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Related Compounds

6-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-oxopropyl]-3H-1,3-benzoxazol-2-one
CID 155538462
6-[5-amino-6-fluoro-2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]-5-methyl-3H-1,3-benzoxazol-2-one
CID 163290906
N-[8-amino-6-(5-methyl-2-oxo-3H-1,3-benzoxazol-6-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide
CID 135342554
(+-)-trans-N-(8-amino-6-(5-methyl-2-oxo-2,3-dihydrobenzo[d]oxazol-6-yl)isoquinolin-3-yl)-2-cyanocyclopropanecarboxamide
CID 135342909
trans-N-(8-amino-6-(5-methyl-2-oxo-2,3-dihydrobenzo[d]oxazol-6-yl)-2,7-naphthyridin-3-yl)-2-cyanocyclopropanecarboxamide
CID 139469023
cis-(1R,2R)-N-[8-amino-6-(5-methyl-2-oxo-3H-1,3-benzoxazol-6-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide
CID 135342607
trans-N-[8-amino-6-(2-oxo-1,3-benzoxazol-3-yl)-3-isoquinolyl]-2-cyano-cyclopropane-l-carboxamide
CID 135343555
trans-(1S,2S)-N-[8-amino-6-(5-methoxy-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 135345455
(2R)-N-[8-amino-6-(5-methoxy-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 139468640
trans-N-[8-amino-6-(5-methyl-2-oxo-3H-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropanecarboxamide
CID 139468665
US11780845, Example 49
CID 155308718
trans-N-(8-amino-6-(3,5-dimethyl-2-oxo-2,3-dihydrobenzo[d]oxazol-6-yl)-2,7-naphthyridin-3-yl)-2-cyanocyclopropanecarboxamide
CID 160232900

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[8-amino-6-(5-methyl-2-oxo-3H-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of (2R)-N-[8-amino-6-(5-methyl-2-oxo-3H-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide (CID 142447413) is (2R)-N-[8-amino-6-(5-methyl-2-oxo-3H-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for (2R)-N-[8-amino-6-(5-methyl-2-oxo-3H-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for (2R)-N-[8-amino-6-(5-methyl-2-oxo-3H-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide is Cc1cc2[nH]c(=O)oc2cc1-c1cc2cc(NC(=O)C3C[C@H]3C)ncc2c(N)n1.
What is the InChIKey of (2R)-N-[8-amino-6-(5-methyl-2-oxo-3H-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is NUNQFUBJFLLGIC-CGCSKFHYSA-N. The full InChI is InChI=1S/C21H19N5O3/c1-9-3-13(9)20(27)26-18-6-11-5-15(24-19(22)14(11)8-23-18)12-7-17-16(4-10(12)2)25-21(28)29-17/h4-9,13H,3H2,1-2H3,(H2,22,24)(H,25,28)(H,23,26,27)/t9-,13?/m1/s1.
What are the key properties of (2R)-N-[8-amino-6-(5-methyl-2-oxo-3H-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide?
(2R)-N-[8-amino-6-(5-methyl-2-oxo-3H-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 389.42 g/mol, XLogP of 3.22, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[8-amino-6-(5-methyl-2-oxo-3H-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 142447413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).