(7-amino-2,3-dihydro-1,4-benzoxazin-4-yl)-pyridin-3-ylmethanone

C14H13N3O2 — CID 82299169

IUPAC(7-amino-2,3-dihydro-1,4-benzoxazin-4-yl)-pyridin-3-ylmethanone
SMILESNc1ccc2c(c1)OCCN2C(=O)c1cccnc1
InChIInChI=1S/C14H13N3O2/c15-11-3-4-12-13(8-11)19-7-6-17(12)14(18)10-2-1-5-16-9-10/h1-5,8-9H,6-7,15H2
InChIKeyGMLWENGDCCBVPC-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.70
Rot. Bonds1

About (7-amino-2,3-dihydro-1,4-benzoxazin-4-yl)-pyridin-3-ylmethanone

(7-amino-2,3-dihydro-1,4-benzoxazin-4-yl)-pyridin-3-ylmethanone (PubChem CID 82299169) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is (7-amino-2,3-dihydro-1,4-benzoxazin-4-yl)-pyridin-3-ylmethanone.

Molecular Properties

Compound Name(7-amino-2,3-dihydro-1,4-benzoxazin-4-yl)-pyridin-3-ylmethanone
PubChem CID82299169
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name(7-amino-2,3-dihydro-1,4-benzoxazin-4-yl)-pyridin-3-ylmethanone
SMILESNc1ccc2c(c1)OCCN2C(=O)c1cccnc1
InChIInChI=1S/C14H13N3O2/c15-11-3-4-12-13(8-11)19-7-6-17(12)14(18)10-2-1-5-16-9-10/h1-5,8-9H,6-7,15H2
InChIKeyGMLWENGDCCBVPC-UHFFFAOYSA-N
XLogP1.70
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-pyridin-3-ylmethanone
CID 110639185
(7-amino-2,3-dihydro-1,4-benzoxazin-4-yl)-cyclopropylmethanone
CID 82285435
[4-(4-amino-2-fluorophenyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 143096143
1-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone
CID 110737710
4-(pyridine-3-carbonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 164614304
5-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)pyridine-2-carboxylic acid
CID 117213074
2,3-dihydro-1,4-benzodioxin-6-yl-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110808457
(7-bromo-2,3-dihydro-1,4-benzoxazin-4-yl)-(3-methylphenyl)methanone
CID 84609317
(5-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-pyridin-3-ylmethanone
CID 110872036
6-methyl-1-(pyridine-3-carbonyl)-2,3-dihydroquinolin-4-one
CID 110634863
(6-bromo-3-pyridinyl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone
CID 66464478
2,3-dihydro-1,4-benzoxazin-4-yl-[5-(4-nitrophenyl)-3-pyridinyl]methanone
CID 163390030

Frequently Asked Questions

What is the IUPAC name of (7-amino-2,3-dihydro-1,4-benzoxazin-4-yl)-pyridin-3-ylmethanone?
The IUPAC name of (7-amino-2,3-dihydro-1,4-benzoxazin-4-yl)-pyridin-3-ylmethanone (CID 82299169) is (7-amino-2,3-dihydro-1,4-benzoxazin-4-yl)-pyridin-3-ylmethanone.
What is the SMILES notation for (7-amino-2,3-dihydro-1,4-benzoxazin-4-yl)-pyridin-3-ylmethanone?
The canonical SMILES for (7-amino-2,3-dihydro-1,4-benzoxazin-4-yl)-pyridin-3-ylmethanone is Nc1ccc2c(c1)OCCN2C(=O)c1cccnc1.
What is the InChIKey of (7-amino-2,3-dihydro-1,4-benzoxazin-4-yl)-pyridin-3-ylmethanone?
The InChIKey is GMLWENGDCCBVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c15-11-3-4-12-13(8-11)19-7-6-17(12)14(18)10-2-1-5-16-9-10/h1-5,8-9H,6-7,15H2.
What are the key properties of (7-amino-2,3-dihydro-1,4-benzoxazin-4-yl)-pyridin-3-ylmethanone?
(7-amino-2,3-dihydro-1,4-benzoxazin-4-yl)-pyridin-3-ylmethanone has a molecular weight of 255.28 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-amino-2,3-dihydro-1,4-benzoxazin-4-yl)-pyridin-3-ylmethanone is sourced from PubChem (CID 82299169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).