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

C23H23FN4O2 — CID 135622617

IUPACN-(2,4-dimethylphenyl)-2-[(3-fluorophenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCc1ccc(NC(=O)N2CCc3nc(Cc4cccc(F)c4)[nH]c(=O)c3C2)c(C)c1
InChIInChI=1S/C23H23FN4O2/c1-14-6-7-19(15(2)10-14)26-23(30)28-9-8-20-18(13-28)22(29)27-21(25-20)12-16-4-3-5-17(24)11-16/h3-7,10-11H,8-9,12-13H2,1-2H3,(H,26,30)(H,25,27,29)
InChIKeyGXASOYRODPDPRK-UHFFFAOYSA-N
MW406.46 g/mol
LogP3.71
Rot. Bonds3

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

N-(2,4-dimethylphenyl)-2-[(3-fluorophenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxamide (PubChem CID 135622617) has the molecular formula C23H23FN4O2 and a molecular weight of 406.46 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-[(3-fluorophenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-[(3-fluorophenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxamide
PubChem CID135622617
Molecular FormulaC23H23FN4O2
Molecular Weight406.46 g/mol
Exact Mass406.18
IUPAC NameN-(2,4-dimethylphenyl)-2-[(3-fluorophenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCc1ccc(NC(=O)N2CCc3nc(Cc4cccc(F)c4)[nH]c(=O)c3C2)c(C)c1
InChIInChI=1S/C23H23FN4O2/c1-14-6-7-19(15(2)10-14)26-23(30)28-9-8-20-18(13-28)22(29)27-21(25-20)12-16-4-3-5-17(24)11-16/h3-7,10-11H,8-9,12-13H2,1-2H3,(H,26,30)(H,25,27,29)
InChIKeyGXASOYRODPDPRK-UHFFFAOYSA-N
XLogP3.71
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-Fluorophenyl)-1-(2-hydroxyethyl)-1-[(6-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]urea
CID 1449404
1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-fluoro-2-methylphenyl)-1-(2-hydroxyethyl)urea
CID 138456888
1-(2-Dimethylamino-ethyl)-1-(6-ethyl-2-oxo-1,2-dihydro-quinolin-3-ylmethyl)-3-phenyl-urea
CID 651257
1-(6-Ethyl-2-oxo-1,2-dihydro-quinolin-3-ylmethyl)-3-(4-fluoro-phenyl)-1-(3-morpholin-4-yl-propyl)-urea
CID 652189
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
3-butyl-10-(4-methylphenyl)pyrimido[4,5-b]quinoline-2,4(3H,10H)-dione
CID 1890678
2-[(2,4-dimethylphenyl)amino]-4-(4-fluorophenyl)-8-methyl-1,4-dihydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-one
CID 4890321
N-(2,4-dimethylphenyl)-8-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 16010469
10-Ethyl-7-methyl-2-phenylpyrimido[4,5-b]quinolin-4-one
CID 44421932
3-[3,5-Bis(trifluoromethyl)phenyl]-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-1-pentylurea
CID 44522022
3-(2-fluorophenyl)-1-[(4-fluorophenyl)methyl]-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea
CID 135429193
2-[3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3H-quinazolin-4-one
CID 135659965

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-[(3-fluorophenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-[(3-fluorophenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxamide (CID 135622617) is N-(2,4-dimethylphenyl)-2-[(3-fluorophenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-[(3-fluorophenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-[(3-fluorophenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxamide is Cc1ccc(NC(=O)N2CCc3nc(Cc4cccc(F)c4)[nH]c(=O)c3C2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-[(3-fluorophenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxamide?
The InChIKey is GXASOYRODPDPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O2/c1-14-6-7-19(15(2)10-14)26-23(30)28-9-8-20-18(13-28)22(29)27-21(25-20)12-16-4-3-5-17(24)11-16/h3-7,10-11H,8-9,12-13H2,1-2H3,(H,26,30)(H,25,27,29).
What are the key properties of N-(2,4-dimethylphenyl)-2-[(3-fluorophenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxamide?
N-(2,4-dimethylphenyl)-2-[(3-fluorophenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxamide has a molecular weight of 406.46 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-[(3-fluorophenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 135622617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).