4-(pyridine-3-carbonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide

C15H13N3O3 — CID 164614304

IUPAC4-(pyridine-3-carbonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
SMILESNC(=O)C1CN(C(=O)c2cccnc2)c2ccccc2O1
InChIInChI=1S/C15H13N3O3/c16-14(19)13-9-18(11-5-1-2-6-12(11)21-13)15(20)10-4-3-7-17-8-10/h1-8,13H,9H2,(H2,16,19)
InChIKeyUUENDBXDWQNKOB-UHFFFAOYSA-N
MW283.29 g/mol
LogP0.97
Rot. Bonds2

About 4-(pyridine-3-carbonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide

4-(pyridine-3-carbonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide (PubChem CID 164614304) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 4-(pyridine-3-carbonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide.

Molecular Properties

Compound Name4-(pyridine-3-carbonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
PubChem CID164614304
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name4-(pyridine-3-carbonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
SMILESNC(=O)C1CN(C(=O)c2cccnc2)c2ccccc2O1
InChIInChI=1S/C15H13N3O3/c16-14(19)13-9-18(11-5-1-2-6-12(11)21-13)15(20)10-4-3-7-17-8-10/h1-8,13H,9H2,(H2,16,19)
InChIKeyUUENDBXDWQNKOB-UHFFFAOYSA-N
XLogP0.97
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-4-benzoyl-2,3-dihydro-1,4-benzoxazine-2-carbohydrazide
CID 100595292
(2S)-4-prop-2-enoyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 129365095
4-[3-[(4-fluorophenyl)methoxy]benzoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 42886373
(2R)-4-(2-pyridin-4-ylquinoline-4-carbonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 25347339
(2R)-4-(1-ethylbenzotriazole-5-carbonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 9460862
(2R)-4-carbamoyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid
CID 30080218
4-(2-amino-3-methylbutanoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 61252660
3-methyl-5-(pyridine-3-carbonyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 43837352
(2R)-N-methyl-4-[5-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 97313413
[(2S)-4-(6-chloropyridine-3-carbonyl)-2,3-dihydro-1,4-benzoxazin-2-yl]-piperidin-1-ylmethanone
CID 8944812
methyl (2R)-4-(3-methoxybenzoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylate
CID 27316848
4-(4-fluorobenzoyl)-2,3-dihydro-1,4-benzoxazine-2-carbohydrazide
CID 133240191

Frequently Asked Questions

What is the IUPAC name of 4-(pyridine-3-carbonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
The IUPAC name of 4-(pyridine-3-carbonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide (CID 164614304) is 4-(pyridine-3-carbonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide.
What is the SMILES notation for 4-(pyridine-3-carbonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
The canonical SMILES for 4-(pyridine-3-carbonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide is NC(=O)C1CN(C(=O)c2cccnc2)c2ccccc2O1.
What is the InChIKey of 4-(pyridine-3-carbonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
The InChIKey is UUENDBXDWQNKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c16-14(19)13-9-18(11-5-1-2-6-12(11)21-13)15(20)10-4-3-7-17-8-10/h1-8,13H,9H2,(H2,16,19).
What are the key properties of 4-(pyridine-3-carbonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
4-(pyridine-3-carbonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide has a molecular weight of 283.29 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyridine-3-carbonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide is sourced from PubChem (CID 164614304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).