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

C24H26N4O4 — CID 134809811

IUPACN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(2-methoxy-3-pyridinyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxamide
SMILESCOc1ncccc1-c1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c2c(c1)N(C)CCO2
InChIInChI=1S/C24H26N4O4/c1-14-10-15(2)27-23(30)19(14)13-26-22(29)18-11-16(17-6-5-7-25-24(17)31-4)12-20-21(18)32-9-8-28(20)3/h5-7,10-12H,8-9,13H2,1-4H3,(H,26,29)(H,27,30)
InChIKeyKXMSEBQWUDBGMN-UHFFFAOYSA-N
MW434.50 g/mol
LogP2.82
Rot. Bonds5

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

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(2-methoxy-3-pyridinyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxamide (PubChem CID 134809811) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(2-methoxy-3-pyridinyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(2-methoxy-3-pyridinyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxamide
PubChem CID134809811
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(2-methoxy-3-pyridinyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxamide
SMILESCOc1ncccc1-c1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c2c(c1)N(C)CCO2
InChIInChI=1S/C24H26N4O4/c1-14-10-15(2)27-23(30)19(14)13-26-22(29)18-11-16(17-6-5-7-25-24(17)31-4)12-20-21(18)32-9-8-28(20)3/h5-7,10-12H,8-9,13H2,1-4H3,(H,26,29)(H,27,30)
InChIKeyKXMSEBQWUDBGMN-UHFFFAOYSA-N
XLogP2.82
TPSA96.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide
CID 44493436
N-[2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-2-(4-methylphenoxy)pyridine-3-carboxamide
CID 20646995
N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide
CID 44202487
N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide
CID 44492448
N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide
CID 44494873
N-[(2S,3S)-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-5-propan-2-yl-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]pyridine-4-carboxamide
CID 56962232
N-[(2S,3S)-2-[[benzyl(methyl)amino]methyl]-3-methyl-6-oxo-5-propan-2-yl-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]pyridine-4-carboxamide
CID 57345719
N-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-(4-propan-2-ylphenoxy)pyridine-3-carboxamide
CID 44586111
N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]-2-(4-propan-2-ylphenoxy)pyridine-3-carboxamide
CID 44586112
N-[2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-2-(4-propan-2-ylphenoxy)pyridine-3-carboxamide
CID 44586113
N-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-(4-methylphenoxy)pyridine-3-carboxamide
CID 44586160
N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]-2-(4-methylphenoxy)pyridine-3-carboxamide
CID 44586161

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(2-methoxy-3-pyridinyl)-4-methyl-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-methoxy-3-pyridinyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxamide (CID 134809811) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(2-methoxy-3-pyridinyl)-4-methyl-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-methoxy-3-pyridinyl)-4-methyl-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-methoxy-3-pyridinyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxamide is COc1ncccc1-c1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c2c(c1)N(C)CCO2.
What is the InChIKey of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(2-methoxy-3-pyridinyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxamide?
The InChIKey is KXMSEBQWUDBGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-14-10-15(2)27-23(30)19(14)13-26-22(29)18-11-16(17-6-5-7-25-24(17)31-4)12-20-21(18)32-9-8-28(20)3/h5-7,10-12H,8-9,13H2,1-4H3,(H,26,29)(H,27,30).
What are the key properties of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(2-methoxy-3-pyridinyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxamide?
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(2-methoxy-3-pyridinyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxamide has a molecular weight of 434.50 g/mol, XLogP of 2.82, 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-methoxy-3-pyridinyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxamide is sourced from PubChem (CID 134809811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).