N-(2-methyl-4-pyridinyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide

C15H15N3O2 — CID 79240195

IUPACN-(2-methyl-4-pyridinyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
SMILESCc1cc(NC(=O)C2CNc3ccccc3O2)ccn1
InChIInChI=1S/C15H15N3O2/c1-10-8-11(6-7-16-10)18-15(19)14-9-17-12-4-2-3-5-13(12)20-14/h2-8,14,17H,9H2,1H3,(H,16,18,19)
InChIKeyBLMYLYIQPRPHPZ-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.20
Rot. Bonds2

About N-(2-methyl-4-pyridinyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide

N-(2-methyl-4-pyridinyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (PubChem CID 79240195) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is N-(2-methyl-4-pyridinyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-4-pyridinyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
PubChem CID79240195
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC NameN-(2-methyl-4-pyridinyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
SMILESCc1cc(NC(=O)C2CNc3ccccc3O2)ccn1
InChIInChI=1S/C15H15N3O2/c1-10-8-11(6-7-16-10)18-15(19)14-9-17-12-4-2-3-5-13(12)20-14/h2-8,14,17H,9H2,1H3,(H,16,18,19)
InChIKeyBLMYLYIQPRPHPZ-UHFFFAOYSA-N
XLogP2.20
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-hydroxy-4-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 107701393
N-(2-methyl-4-pyridinyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 110698841
N-(4-fluoro-3-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 62811648
N-(3-bromo-5-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 107583524
N-(3-bromophenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 24694997
N-(3,5-dichlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 43100505
N-(1H-pyrazol-4-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 43540252
N-(1H-imidazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 55215106
N-pyridazin-3-yl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 116786757
N-(6-oxo-1H-pyridazin-3-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 116786941
N-(2,5-dimethylpyrrol-1-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 79107400
N-(2-ethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 24701248

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-pyridinyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
The IUPAC name of N-(2-methyl-4-pyridinyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (CID 79240195) is N-(2-methyl-4-pyridinyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide.
What is the SMILES notation for N-(2-methyl-4-pyridinyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
The canonical SMILES for N-(2-methyl-4-pyridinyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide is Cc1cc(NC(=O)C2CNc3ccccc3O2)ccn1.
What is the InChIKey of N-(2-methyl-4-pyridinyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
The InChIKey is BLMYLYIQPRPHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-10-8-11(6-7-16-10)18-15(19)14-9-17-12-4-2-3-5-13(12)20-14/h2-8,14,17H,9H2,1H3,(H,16,18,19).
What are the key properties of N-(2-methyl-4-pyridinyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
N-(2-methyl-4-pyridinyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide has a molecular weight of 269.30 g/mol, XLogP of 2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-pyridinyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide is sourced from PubChem (CID 79240195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).