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

C27H31N3O3 — CID 134807622

IUPACN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(4-methylphenyl)-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine-8-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c3c(c2)N(C(C)C)CCO3)cc1
InChIInChI=1S/C27H31N3O3/c1-16(2)30-10-11-33-25-22(13-21(14-24(25)30)20-8-6-17(3)7-9-20)26(31)28-15-23-18(4)12-19(5)29-27(23)32/h6-9,12-14,16H,10-11,15H2,1-5H3,(H,28,31)(H,29,32)
InChIKeyZMKMUCXFTPETJJ-UHFFFAOYSA-N
MW445.56 g/mol
LogP4.50
Rot. Bonds5

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

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(4-methylphenyl)-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine-8-carboxamide (PubChem CID 134807622) has the molecular formula C27H31N3O3 and a molecular weight of 445.56 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(4-methylphenyl)-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-(4-methylphenyl)-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine-8-carboxamide
PubChem CID134807622
Molecular FormulaC27H31N3O3
Molecular Weight445.56 g/mol
Exact Mass445.24
IUPAC NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(4-methylphenyl)-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine-8-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c3c(c2)N(C(C)C)CCO3)cc1
InChIInChI=1S/C27H31N3O3/c1-16(2)30-10-11-33-25-22(13-21(14-24(25)30)20-8-6-17(3)7-9-20)26(31)28-15-23-18(4)12-19(5)29-27(23)32/h6-9,12-14,16H,10-11,15H2,1-5H3,(H,28,31)(H,29,32)
InChIKeyZMKMUCXFTPETJJ-UHFFFAOYSA-N
XLogP4.50
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.56
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Launch Full Analysis

Related Compounds

6-(4-cyano-3-fluorophenyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine-8-carboxamide
CID 135564109
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine-8-carboxamide
CID 135564138
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methyl-6-(2-methylpyrazol-3-yl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide
CID 134810424
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-7-[4-(morpholin-4-ylmethyl)phenyl]-5-(oxan-4-yl)-3,4-dihydro-2H-1,5-benzoxazepine-9-carboxamide
CID 135564153
4-[4-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-3-methyl-1-propan-2-ylindol-6-yl]benzoic acid
CID 54670078
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-(4-methylphenyl)benzamide
CID 70872858
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(2-methylpropanoyl)amino]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 135249177
N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(4-methylphenyl)-1-propan-2-ylindole-4-carboxamide
CID 122448431
6-[6-[4-(2-aminoethyl)piperazin-1-yl]-3-pyridinyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-1-propan-2-yl-2,3-dihydroindazole-4-carboxamide
CID 163460314
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(3,5-dimethylphenyl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide
CID 138733657
1-butan-2-yl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(6-methyl-3-pyridinyl)-2,3-dihydro-1,2-benzazaphosphole-4-carboxamide
CID 135183050
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[4-[(3-propan-2-yloxyazetidin-1-yl)methyl]phenyl]benzamide
CID 135280556

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(4-methylphenyl)-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-(4-methylphenyl)-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine-8-carboxamide (CID 134807622) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(4-methylphenyl)-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-(4-methylphenyl)-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-(4-methylphenyl)-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine-8-carboxamide is Cc1ccc(-c2cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c3c(c2)N(C(C)C)CCO3)cc1.
What is the InChIKey of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(4-methylphenyl)-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine-8-carboxamide?
The InChIKey is ZMKMUCXFTPETJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O3/c1-16(2)30-10-11-33-25-22(13-21(14-24(25)30)20-8-6-17(3)7-9-20)26(31)28-15-23-18(4)12-19(5)29-27(23)32/h6-9,12-14,16H,10-11,15H2,1-5H3,(H,28,31)(H,29,32).
What are the key properties of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(4-methylphenyl)-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine-8-carboxamide?
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(4-methylphenyl)-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine-8-carboxamide has a molecular weight of 445.56 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(4-methylphenyl)-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine-8-carboxamide is sourced from PubChem (CID 134807622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).