4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-pyridin-3-yl-2,3-dihydro-1,4-benzoxazine-8-carboxamide

C20H21N5O2 — CID 134809808

IUPAC4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-pyridin-3-yl-2,3-dihydro-1,4-benzoxazine-8-carboxamide
SMILESCN1CCOc2c(C(=O)NCc3cnn(C)c3)cc(-c3cccnc3)cc21
InChIInChI=1S/C20H21N5O2/c1-24-6-7-27-19-17(20(26)22-10-14-11-23-25(2)13-14)8-16(9-18(19)24)15-4-3-5-21-12-15/h3-5,8-9,11-13H,6-7,10H2,1-2H3,(H,22,26)
InChIKeyWSOIBQGNAFBZPM-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.24
Rot. Bonds4

About 4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-pyridin-3-yl-2,3-dihydro-1,4-benzoxazine-8-carboxamide

4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-pyridin-3-yl-2,3-dihydro-1,4-benzoxazine-8-carboxamide (PubChem CID 134809808) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-pyridin-3-yl-2,3-dihydro-1,4-benzoxazine-8-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-pyridin-3-yl-2,3-dihydro-1,4-benzoxazine-8-carboxamide
PubChem CID134809808
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-pyridin-3-yl-2,3-dihydro-1,4-benzoxazine-8-carboxamide
SMILESCN1CCOc2c(C(=O)NCc3cnn(C)c3)cc(-c3cccnc3)cc21
InChIInChI=1S/C20H21N5O2/c1-24-6-7-27-19-17(20(26)22-10-14-11-23-25(2)13-14)8-16(9-18(19)24)15-4-3-5-21-12-15/h3-5,8-9,11-13H,6-7,10H2,1-2H3,(H,22,26)
InChIKeyWSOIBQGNAFBZPM-UHFFFAOYSA-N
XLogP2.24
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-pyridin-3-yl-2,3-dihydro-1,4-benzoxazine-8-carboxamide?
The IUPAC name of 4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-pyridin-3-yl-2,3-dihydro-1,4-benzoxazine-8-carboxamide (CID 134809808) is 4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-pyridin-3-yl-2,3-dihydro-1,4-benzoxazine-8-carboxamide.
What is the SMILES notation for 4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-pyridin-3-yl-2,3-dihydro-1,4-benzoxazine-8-carboxamide?
The canonical SMILES for 4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-pyridin-3-yl-2,3-dihydro-1,4-benzoxazine-8-carboxamide is CN1CCOc2c(C(=O)NCc3cnn(C)c3)cc(-c3cccnc3)cc21.
What is the InChIKey of 4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-pyridin-3-yl-2,3-dihydro-1,4-benzoxazine-8-carboxamide?
The InChIKey is WSOIBQGNAFBZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-24-6-7-27-19-17(20(26)22-10-14-11-23-25(2)13-14)8-16(9-18(19)24)15-4-3-5-21-12-15/h3-5,8-9,11-13H,6-7,10H2,1-2H3,(H,22,26).
What are the key properties of 4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-pyridin-3-yl-2,3-dihydro-1,4-benzoxazine-8-carboxamide?
4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-pyridin-3-yl-2,3-dihydro-1,4-benzoxazine-8-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-pyridin-3-yl-2,3-dihydro-1,4-benzoxazine-8-carboxamide is sourced from PubChem (CID 134809808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).