2-methyl-6-[5-(1-methyl-6-oxo-3-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]-N-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]pyrimidine-4-carboxamide

C25H24N6O4 — CID 89394328

IUPAC2-methyl-6-[5-(1-methyl-6-oxo-3-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]-N-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]pyrimidine-4-carboxamide
SMILESCc1nc(C(=O)NCc2ccc3c(c2)NC(=O)CC3)cc(C2=NOC(c3ccc(=O)n(C)c3)C2)n1
InChIInChI=1S/C25H24N6O4/c1-14-27-19(20-11-22(35-30-20)17-6-8-24(33)31(2)13-17)10-21(28-14)25(34)26-12-15-3-4-16-5-7-23(32)29-18(16)9-15/h3-4,6,8-10,13,22H,5,7,11-12H2,1-2H3,(H,26,34)(H,29,32)
InChIKeyZHAKPIGLBNKXCL-UHFFFAOYSA-N
MW472.51 g/mol
LogP2.16
Rot. Bonds5

About 2-methyl-6-[5-(1-methyl-6-oxo-3-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]-N-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]pyrimidine-4-carboxamide

2-methyl-6-[5-(1-methyl-6-oxo-3-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]-N-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]pyrimidine-4-carboxamide (PubChem CID 89394328) has the molecular formula C25H24N6O4 and a molecular weight of 472.51 g/mol. Its IUPAC name is 2-methyl-6-[5-(1-methyl-6-oxo-3-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]-N-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-6-[5-(1-methyl-6-oxo-3-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]-N-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]pyrimidine-4-carboxamide
PubChem CID89394328
Molecular FormulaC25H24N6O4
Molecular Weight472.51 g/mol
Exact Mass472.19
IUPAC Name2-methyl-6-[5-(1-methyl-6-oxo-3-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]-N-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]pyrimidine-4-carboxamide
SMILESCc1nc(C(=O)NCc2ccc3c(c2)NC(=O)CC3)cc(C2=NOC(c3ccc(=O)n(C)c3)C2)n1
InChIInChI=1S/C25H24N6O4/c1-14-27-19(20-11-22(35-30-20)17-6-8-24(33)31(2)13-17)10-21(28-14)25(34)26-12-15-3-4-16-5-7-23(32)29-18(16)9-15/h3-4,6,8-10,13,22H,5,7,11-12H2,1-2H3,(H,26,34)(H,29,32)
InChIKeyZHAKPIGLBNKXCL-UHFFFAOYSA-N
XLogP2.16
TPSA127.57 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.51
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-methyl-6-[5-(1-methyl-6-oxo-3-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]-N-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]pyrimidine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[5-(1-methyl-6-oxo-3-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]-N-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-methyl-6-[5-(1-methyl-6-oxo-3-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]-N-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]pyrimidine-4-carboxamide (CID 89394328) is 2-methyl-6-[5-(1-methyl-6-oxo-3-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]-N-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-methyl-6-[5-(1-methyl-6-oxo-3-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]-N-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-methyl-6-[5-(1-methyl-6-oxo-3-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]-N-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]pyrimidine-4-carboxamide is Cc1nc(C(=O)NCc2ccc3c(c2)NC(=O)CC3)cc(C2=NOC(c3ccc(=O)n(C)c3)C2)n1.
What is the InChIKey of 2-methyl-6-[5-(1-methyl-6-oxo-3-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]-N-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]pyrimidine-4-carboxamide?
The InChIKey is ZHAKPIGLBNKXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O4/c1-14-27-19(20-11-22(35-30-20)17-6-8-24(33)31(2)13-17)10-21(28-14)25(34)26-12-15-3-4-16-5-7-23(32)29-18(16)9-15/h3-4,6,8-10,13,22H,5,7,11-12H2,1-2H3,(H,26,34)(H,29,32).
What are the key properties of 2-methyl-6-[5-(1-methyl-6-oxo-3-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]-N-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]pyrimidine-4-carboxamide?
2-methyl-6-[5-(1-methyl-6-oxo-3-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]-N-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]pyrimidine-4-carboxamide has a molecular weight of 472.51 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[5-(1-methyl-6-oxo-3-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]-N-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 89394328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).