4-methyl-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2,3-dihydro-1,4-benzoxazine-6-carboxamide

C19H19N5O2 — CID 126801451

IUPAC4-methyl-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2,3-dihydro-1,4-benzoxazine-6-carboxamide
SMILESCN1CCOc2ccc(C(=O)Nc3cccc(-c4cnn(C)c4)n3)cc21
InChIInChI=1S/C19H19N5O2/c1-23-8-9-26-17-7-6-13(10-16(17)23)19(25)22-18-5-3-4-15(21-18)14-11-20-24(2)12-14/h3-7,10-12H,8-9H2,1-2H3,(H,21,22,25)
InChIKeyOGZITMLMSYCJKM-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.56
Rot. Bonds3

About 4-methyl-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2,3-dihydro-1,4-benzoxazine-6-carboxamide

4-methyl-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2,3-dihydro-1,4-benzoxazine-6-carboxamide (PubChem CID 126801451) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 4-methyl-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2,3-dihydro-1,4-benzoxazine-6-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2,3-dihydro-1,4-benzoxazine-6-carboxamide
PubChem CID126801451
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name4-methyl-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2,3-dihydro-1,4-benzoxazine-6-carboxamide
SMILESCN1CCOc2ccc(C(=O)Nc3cccc(-c4cnn(C)c4)n3)cc21
InChIInChI=1S/C19H19N5O2/c1-23-8-9-26-17-7-6-13(10-16(17)23)19(25)22-18-5-3-4-15(21-18)14-11-20-24(2)12-14/h3-7,10-12H,8-9H2,1-2H3,(H,21,22,25)
InChIKeyOGZITMLMSYCJKM-UHFFFAOYSA-N
XLogP2.56
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 708615
N-[5-(2,6-dichlorophenyl)-1,3,4-thiadiazol-2-yl]-4-methyl-2,3-dihydro-1,4-benzoxazine-6-carboxamide
CID 45272639
N-[4-[(3-acetamidobenzoyl)amino]phenyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
CID 163494503
3-(3-hydroxycyclobutyl)oxy-2,2-dimethyl-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-3H-furo[2,3-b]pyridine-5-carboxamide
CID 175898469
3-methyl-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)benzamide
CID 110412575
5-(4-hydroxy-4-methylpiperidin-1-yl)-2-(4-methylpiperazin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide
CID 168972247
4-(dimethylamino)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)benzamide
CID 110744732
N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-1-benzothiophene-5-carboxamide
CID 138590221
N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-1-benzothiophene-5-carboxamide
CID 138586943
N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-1-benzofuran-5-carboxamide
CID 138587643
N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)-4-(trifluoromethyl)benzamide
CID 110412476
3,4-dimethyl-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)benzamide
CID 110412589

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2,3-dihydro-1,4-benzoxazine-6-carboxamide?
The IUPAC name of 4-methyl-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2,3-dihydro-1,4-benzoxazine-6-carboxamide (CID 126801451) is 4-methyl-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2,3-dihydro-1,4-benzoxazine-6-carboxamide.
What is the SMILES notation for 4-methyl-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2,3-dihydro-1,4-benzoxazine-6-carboxamide?
The canonical SMILES for 4-methyl-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2,3-dihydro-1,4-benzoxazine-6-carboxamide is CN1CCOc2ccc(C(=O)Nc3cccc(-c4cnn(C)c4)n3)cc21.
What is the InChIKey of 4-methyl-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2,3-dihydro-1,4-benzoxazine-6-carboxamide?
The InChIKey is OGZITMLMSYCJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-23-8-9-26-17-7-6-13(10-16(17)23)19(25)22-18-5-3-4-15(21-18)14-11-20-24(2)12-14/h3-7,10-12H,8-9H2,1-2H3,(H,21,22,25).
What are the key properties of 4-methyl-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2,3-dihydro-1,4-benzoxazine-6-carboxamide?
4-methyl-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2,3-dihydro-1,4-benzoxazine-6-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2,3-dihydro-1,4-benzoxazine-6-carboxamide is sourced from PubChem (CID 126801451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).