N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(1,5-dimethylpyrazol-4-yl)-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine-8-carboxamide

C25H31N5O3 — CID 134809484

IUPACN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(1,5-dimethylpyrazol-4-yl)-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine-8-carboxamide
SMILESCc1cc(C)c(CNC(=O)c2cc(-c3cnn(C)c3C)cc3c2OCCN3C(C)C)c(=O)[nH]1
InChIInChI=1S/C25H31N5O3/c1-14(2)30-7-8-33-23-19(10-18(11-22(23)30)21-13-27-29(6)17(21)5)24(31)26-12-20-15(3)9-16(4)28-25(20)32/h9-11,13-14H,7-8,12H2,1-6H3,(H,26,31)(H,28,32)
InChIKeyLGPRKGSZZAYKIX-UHFFFAOYSA-N
MW449.56 g/mol
LogP3.24
Rot. Bonds5

About N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(1,5-dimethylpyrazol-4-yl)-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine-8-carboxamide

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(1,5-dimethylpyrazol-4-yl)-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine-8-carboxamide (PubChem CID 134809484) has the molecular formula C25H31N5O3 and a molecular weight of 449.56 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(1,5-dimethylpyrazol-4-yl)-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine-8-carboxamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(1,5-dimethylpyrazol-4-yl)-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine-8-carboxamide
PubChem CID134809484
Molecular FormulaC25H31N5O3
Molecular Weight449.56 g/mol
Exact Mass449.24
IUPAC NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(1,5-dimethylpyrazol-4-yl)-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine-8-carboxamide
SMILESCc1cc(C)c(CNC(=O)c2cc(-c3cnn(C)c3C)cc3c2OCCN3C(C)C)c(=O)[nH]1
InChIInChI=1S/C25H31N5O3/c1-14(2)30-7-8-33-23-19(10-18(11-22(23)30)21-13-27-29(6)17(21)5)24(31)26-12-20-15(3)9-16(4)28-25(20)32/h9-11,13-14H,7-8,12H2,1-6H3,(H,26,31)(H,28,32)
InChIKeyLGPRKGSZZAYKIX-UHFFFAOYSA-N
XLogP3.24
TPSA92.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.56
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(1,5-dimethylpyrazol-4-yl)-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine-8-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(1,5-dimethylpyrazol-4-yl)-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine-8-carboxamide?
The IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(1,5-dimethylpyrazol-4-yl)-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine-8-carboxamide (CID 134809484) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(1,5-dimethylpyrazol-4-yl)-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine-8-carboxamide.
What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(1,5-dimethylpyrazol-4-yl)-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine-8-carboxamide?
The canonical SMILES for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(1,5-dimethylpyrazol-4-yl)-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine-8-carboxamide is Cc1cc(C)c(CNC(=O)c2cc(-c3cnn(C)c3C)cc3c2OCCN3C(C)C)c(=O)[nH]1.
What is the InChIKey of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(1,5-dimethylpyrazol-4-yl)-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine-8-carboxamide?
The InChIKey is LGPRKGSZZAYKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O3/c1-14(2)30-7-8-33-23-19(10-18(11-22(23)30)21-13-27-29(6)17(21)5)24(31)26-12-20-15(3)9-16(4)28-25(20)32/h9-11,13-14H,7-8,12H2,1-6H3,(H,26,31)(H,28,32).
What are the key properties of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(1,5-dimethylpyrazol-4-yl)-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine-8-carboxamide?
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(1,5-dimethylpyrazol-4-yl)-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine-8-carboxamide has a molecular weight of 449.56 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(1,5-dimethylpyrazol-4-yl)-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine-8-carboxamide is sourced from PubChem (CID 134809484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).