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

C24H29N5O3 — CID 134808532

IUPACN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(2-methylpyrazol-3-yl)-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine-8-carboxamide
SMILESCc1cc(C)c(CNC(=O)c2cc(-c3ccnn3C)cc3c2OCCN3C(C)C)c(=O)[nH]1
InChIInChI=1S/C24H29N5O3/c1-14(2)29-8-9-32-22-18(11-17(12-21(22)29)20-6-7-26-28(20)5)23(30)25-13-19-15(3)10-16(4)27-24(19)31/h6-7,10-12,14H,8-9,13H2,1-5H3,(H,25,30)(H,27,31)
InChIKeyQSQHLNCLENSPHP-UHFFFAOYSA-N
MW435.53 g/mol
LogP2.93
Rot. Bonds5

About N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(2-methylpyrazol-3-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-(2-methylpyrazol-3-yl)-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine-8-carboxamide (PubChem CID 134808532) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(2-methylpyrazol-3-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-(2-methylpyrazol-3-yl)-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine-8-carboxamide
PubChem CID134808532
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(2-methylpyrazol-3-yl)-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine-8-carboxamide
SMILESCc1cc(C)c(CNC(=O)c2cc(-c3ccnn3C)cc3c2OCCN3C(C)C)c(=O)[nH]1
InChIInChI=1S/C24H29N5O3/c1-14(2)29-8-9-32-22-18(11-17(12-21(22)29)20-6-7-26-28(20)5)23(30)25-13-19-15(3)10-16(4)27-24(19)31/h6-7,10-12,14H,8-9,13H2,1-5H3,(H,25,30)(H,27,31)
InChIKeyQSQHLNCLENSPHP-UHFFFAOYSA-N
XLogP2.93
TPSA92.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(2-Methyl-2H-pyrazol-3-yl)-4-(2-morpholin-4-yl-ethoxy)-phenyl]-3-trifluoromethyl-benzamide
CID 46833075
6-(2-methylpyrazol-3-yl)-4-oxo-N-[(1S,2R)-2-phenylcyclopropyl]spiro[3H-chromene-2,4'-piperidine]-1'-carboxamide
CID 44583349
4-Fluoro-N-[3-(2-methyl-2H-pyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)-phenyl]-benzamide
CID 11531941
3-Fluoro-N-[3-(2-methyl-2H-pyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)-phenyl]-benzamide
CID 11553617
N-{4-[2-(4-Acetylpiperazin-1-yl)ethoxy]-3-(1-methyl-1H-pyrazol-5-yl)phenyl}-3-fluorobenzamide
CID 11655664
2,4-Difluoro-N-[3-(2-Methyl-2H-pyrazol-3-yl)-4-(2-morpholin-4-yl-ethoxy)-phenyl]-benzamide
CID 46833073
3,4-Difluoro-N-[3-(2-methyl-2H-pyrazol-3-yl)-4-(2-morpholin-4-yl-ethoxy)-phenyl]-benzamide
CID 46833076
N-{3-(2-Methyl-2H-pyrazol-3-yl)-4-[2-(3-oxo-piperazin-1-yl)-ethoxy]-phenyl}-3-trifluoromethyl-benzamide
CID 46833077
N-{4-[2-(4-Acetylpiperazin-1-yl)ethoxy]-3-(1-methyl-1H-pyrazol-5-yl)phenyl}-3-(trifluoromethyl)benzamide
CID 46833371
5-(1-Methyl-1H-pyrazol-5-yl)-2-[(phenyl methyl)oxy]-N-3-pyridinylbenzamide
CID 67107000
3-(3,5-dimethylpyrazol-1-yl)-N-[(7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide
CID 45166786
6-(4-fluoro-2-methoxyphenyl)-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxamide
CID 134810430

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(2-methylpyrazol-3-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-(2-methylpyrazol-3-yl)-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine-8-carboxamide (CID 134808532) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(2-methylpyrazol-3-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-(2-methylpyrazol-3-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-(2-methylpyrazol-3-yl)-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine-8-carboxamide is Cc1cc(C)c(CNC(=O)c2cc(-c3ccnn3C)cc3c2OCCN3C(C)C)c(=O)[nH]1.
What is the InChIKey of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(2-methylpyrazol-3-yl)-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine-8-carboxamide?
The InChIKey is QSQHLNCLENSPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3/c1-14(2)29-8-9-32-22-18(11-17(12-21(22)29)20-6-7-26-28(20)5)23(30)25-13-19-15(3)10-16(4)27-24(19)31/h6-7,10-12,14H,8-9,13H2,1-5H3,(H,25,30)(H,27,31).
What are the key properties of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(2-methylpyrazol-3-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-(2-methylpyrazol-3-yl)-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine-8-carboxamide has a molecular weight of 435.53 g/mol, XLogP of 2.93, 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-(2-methylpyrazol-3-yl)-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine-8-carboxamide is sourced from PubChem (CID 134808532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).