N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)pyridine-2-carboxamide

C15H15N3O2 — CID 110744724

IUPACN-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)pyridine-2-carboxamide
SMILESCN1CCOc2ccc(NC(=O)c3ccccn3)cc21
InChIInChI=1S/C15H15N3O2/c1-18-8-9-20-14-6-5-11(10-13(14)18)17-15(19)12-4-2-3-7-16-12/h2-7,10H,8-9H2,1H3,(H,17,19)
InChIKeyMTRDAOZNGAQCJT-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.16
Rot. Bonds2

About N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)pyridine-2-carboxamide

N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)pyridine-2-carboxamide (PubChem CID 110744724) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)pyridine-2-carboxamide
PubChem CID110744724
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC NameN-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)pyridine-2-carboxamide
SMILESCN1CCOc2ccc(NC(=O)c3ccccn3)cc21
InChIInChI=1S/C15H15N3O2/c1-18-8-9-20-14-6-5-11(10-13(14)18)17-15(19)12-4-2-3-7-16-12/h2-7,10H,8-9H2,1H3,(H,17,19)
InChIKeyMTRDAOZNGAQCJT-UHFFFAOYSA-N
XLogP2.16
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)benzamide
CID 110639571
N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)furan-2-carboxamide
CID 110639535
2,6-dibromo-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)benzamide
CID 167856806
N-[1-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)sulfinyl]pyrrol-3-yl]pyridine-2-carboxamide
CID 123159988
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(pyridine-2-carbonylamino)phenyl]oxamide
CID 3220639
N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)thiophene-2-carboxamide
CID 110639536
4-(dimethylamino)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)benzamide
CID 110744732
2-methyl-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propanamide
CID 110639526
3-amino-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propanamide
CID 83626295
N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)-4-(trifluoromethyl)benzamide
CID 110412476
N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)morpholine-4-carboxamide
CID 110639589
1,1-diethyl-3-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)urea
CID 110639588

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)pyridine-2-carboxamide?
The IUPAC name of N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)pyridine-2-carboxamide (CID 110744724) is N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)pyridine-2-carboxamide is CN1CCOc2ccc(NC(=O)c3ccccn3)cc21.
What is the InChIKey of N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)pyridine-2-carboxamide?
The InChIKey is MTRDAOZNGAQCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-18-8-9-20-14-6-5-11(10-13(14)18)17-15(19)12-4-2-3-7-16-12/h2-7,10H,8-9H2,1H3,(H,17,19).
What are the key properties of N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)pyridine-2-carboxamide?
N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)pyridine-2-carboxamide has a molecular weight of 269.30 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)pyridine-2-carboxamide is sourced from PubChem (CID 110744724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).