2-(3-methylphenyl)-N-(4-methylphenyl)-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxamide

C22H22N4O2 — CID 135622568

IUPAC2-(3-methylphenyl)-N-(4-methylphenyl)-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCc1ccc(NC(=O)N2CCc3nc(-c4cccc(C)c4)[nH]c(=O)c3C2)cc1
InChIInChI=1S/C22H22N4O2/c1-14-6-8-17(9-7-14)23-22(28)26-11-10-19-18(13-26)21(27)25-20(24-19)16-5-3-4-15(2)12-16/h3-9,12H,10-11,13H2,1-2H3,(H,23,28)(H,24,25,27)
InChIKeyZHKVRJIRNNZQAZ-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.64
Rot. Bonds2

About 2-(3-methylphenyl)-N-(4-methylphenyl)-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxamide

2-(3-methylphenyl)-N-(4-methylphenyl)-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxamide (PubChem CID 135622568) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 2-(3-methylphenyl)-N-(4-methylphenyl)-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-(3-methylphenyl)-N-(4-methylphenyl)-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxamide
PubChem CID135622568
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name2-(3-methylphenyl)-N-(4-methylphenyl)-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCc1ccc(NC(=O)N2CCc3nc(-c4cccc(C)c4)[nH]c(=O)c3C2)cc1
InChIInChI=1S/C22H22N4O2/c1-14-6-8-17(9-7-14)23-22(28)26-11-10-19-18(13-26)21(27)25-20(24-19)16-5-3-4-15(2)12-16/h3-9,12H,10-11,13H2,1-2H3,(H,23,28)(H,24,25,27)
InChIKeyZHKVRJIRNNZQAZ-UHFFFAOYSA-N
XLogP3.64
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(3-methylphenyl)-N-(4-methylphenyl)-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxamide with MolForge

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Related Compounds

5-Acetyl-4-(benzylamino)-6-methyl-1-phenylpyrimidin-2-one
CID 747912
1-(4-Fluoro-phenyl)-7-m-tolyl-5,5-bis-trifluoromethyl-5,8-dihydro-1H-pyrimido[4,5-d]pyrimidine-2,4-dione
CID 1827239
1-[4-(1,4,5,6-Tetrahydropyrimidin-2-yl)phenyl]-3-[10-[[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]carbamoylamino]decyl]urea
CID 416191
3-Methyl-10-(4-methylphenyl)pyrimido[4,5-b]quinoline-2,4-dione
CID 680846
4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, N-(4-methylphenyl)-4-oxo-
CID 3075178
1-[4-(1,4,5,6-Tetrahydropyrimidin-2-yl)phenyl]-3-[6-[[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]carbamoylamino]hexyl]urea
CID 416185
1-(2-Dimethylamino-ethyl)-1-(6-ethyl-2-oxo-1,2-dihydro-quinolin-3-ylmethyl)-3-phenyl-urea
CID 651257
8-methyl-4-(4-methylphenyl)-2-[(4-methylphenyl)amino]-1,4-dihydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-one
CID 667372
10-benzyl-3-methylpyrimido[4,5-b]quinoline-2,4(3H,10H)-dione
CID 929592
3-Butyl-10-o-tolyl-10H-pyrimido[4,5-b]quinoline-2,4-dione
CID 1869633
3-butyl-10-(4-methylphenyl)pyrimido[4,5-b]quinoline-2,4(3H,10H)-dione
CID 1890678
1-[(3Z)-3-(1-cyano-2-oxo-2-pyrrolidin-1-ylethylidene)isoindol-1-yl]-3-(4-methylphenyl)urea
CID 2121656

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-N-(4-methylphenyl)-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2-(3-methylphenyl)-N-(4-methylphenyl)-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxamide (CID 135622568) is 2-(3-methylphenyl)-N-(4-methylphenyl)-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-(3-methylphenyl)-N-(4-methylphenyl)-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2-(3-methylphenyl)-N-(4-methylphenyl)-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxamide is Cc1ccc(NC(=O)N2CCc3nc(-c4cccc(C)c4)[nH]c(=O)c3C2)cc1.
What is the InChIKey of 2-(3-methylphenyl)-N-(4-methylphenyl)-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxamide?
The InChIKey is ZHKVRJIRNNZQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-14-6-8-17(9-7-14)23-22(28)26-11-10-19-18(13-26)21(27)25-20(24-19)16-5-3-4-15(2)12-16/h3-9,12H,10-11,13H2,1-2H3,(H,23,28)(H,24,25,27).
What are the key properties of 2-(3-methylphenyl)-N-(4-methylphenyl)-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxamide?
2-(3-methylphenyl)-N-(4-methylphenyl)-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 3.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-N-(4-methylphenyl)-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 135622568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).