6-[5-(1-cyclopropyl-6-oxo-3-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]-2-methyl-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrimidine-4-carboxamide

C26H24N6O5 — CID 89158106

IUPAC6-[5-(1-cyclopropyl-6-oxo-3-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]-2-methyl-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrimidine-4-carboxamide
SMILESCc1nc(C(=O)NCc2ccc3c(c2)NC(=O)CO3)cc(C2=NOC(c3ccc(=O)n(C4CC4)c3)C2)n1
InChIInChI=1S/C26H24N6O5/c1-14-28-18(19-10-23(37-31-19)16-3-7-25(34)32(12-16)17-4-5-17)9-21(29-14)26(35)27-11-15-2-6-22-20(8-15)30-24(33)13-36-22/h2-3,6-9,12,17,23H,4-5,10-11,13H2,1H3,(H,27,35)(H,30,33)
InChIKeyZQVWSWJZGAJXEQ-UHFFFAOYSA-N
MW500.52 g/mol
LogP2.41
Rot. Bonds6

About 6-[5-(1-cyclopropyl-6-oxo-3-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]-2-methyl-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrimidine-4-carboxamide

6-[5-(1-cyclopropyl-6-oxo-3-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]-2-methyl-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrimidine-4-carboxamide (PubChem CID 89158106) has the molecular formula C26H24N6O5 and a molecular weight of 500.52 g/mol. Its IUPAC name is 6-[5-(1-cyclopropyl-6-oxo-3-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]-2-methyl-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[5-(1-cyclopropyl-6-oxo-3-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]-2-methyl-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrimidine-4-carboxamide
PubChem CID89158106
Molecular FormulaC26H24N6O5
Molecular Weight500.52 g/mol
Exact Mass500.18
IUPAC Name6-[5-(1-cyclopropyl-6-oxo-3-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]-2-methyl-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrimidine-4-carboxamide
SMILESCc1nc(C(=O)NCc2ccc3c(c2)NC(=O)CO3)cc(C2=NOC(c3ccc(=O)n(C4CC4)c3)C2)n1
InChIInChI=1S/C26H24N6O5/c1-14-28-18(19-10-23(37-31-19)16-3-7-25(34)32(12-16)17-4-5-17)9-21(29-14)26(35)27-11-15-2-6-22-20(8-15)30-24(33)13-36-22/h2-3,6-9,12,17,23H,4-5,10-11,13H2,1H3,(H,27,35)(H,30,33)
InChIKeyZQVWSWJZGAJXEQ-UHFFFAOYSA-N
XLogP2.41
TPSA136.80 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.52
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-[5-(1-cyclopropyl-6-oxo-3-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]-2-methyl-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrimidine-4-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 6-[5-(1-cyclopropyl-6-oxo-3-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]-2-methyl-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-[5-(1-cyclopropyl-6-oxo-3-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]-2-methyl-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrimidine-4-carboxamide (CID 89158106) is 6-[5-(1-cyclopropyl-6-oxo-3-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]-2-methyl-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[5-(1-cyclopropyl-6-oxo-3-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]-2-methyl-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-[5-(1-cyclopropyl-6-oxo-3-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]-2-methyl-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrimidine-4-carboxamide is Cc1nc(C(=O)NCc2ccc3c(c2)NC(=O)CO3)cc(C2=NOC(c3ccc(=O)n(C4CC4)c3)C2)n1.
What is the InChIKey of 6-[5-(1-cyclopropyl-6-oxo-3-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]-2-methyl-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrimidine-4-carboxamide?
The InChIKey is ZQVWSWJZGAJXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O5/c1-14-28-18(19-10-23(37-31-19)16-3-7-25(34)32(12-16)17-4-5-17)9-21(29-14)26(35)27-11-15-2-6-22-20(8-15)30-24(33)13-36-22/h2-3,6-9,12,17,23H,4-5,10-11,13H2,1H3,(H,27,35)(H,30,33).
What are the key properties of 6-[5-(1-cyclopropyl-6-oxo-3-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]-2-methyl-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrimidine-4-carboxamide?
6-[5-(1-cyclopropyl-6-oxo-3-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]-2-methyl-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrimidine-4-carboxamide has a molecular weight of 500.52 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(1-cyclopropyl-6-oxo-3-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]-2-methyl-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 89158106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).