N-[3-hydroxy-1-(4-methylphenyl)propyl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide

C20H20N4O3 — CID 72898375

IUPACN-[3-hydroxy-1-(4-methylphenyl)propyl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide
SMILESCc1ccc(C(CCO)NC(=O)c2cnc(-c3cccnc3)[nH]c2=O)cc1
InChIInChI=1S/C20H20N4O3/c1-13-4-6-14(7-5-13)17(8-10-25)23-19(26)16-12-22-18(24-20(16)27)15-3-2-9-21-11-15/h2-7,9,11-12,17,25H,8,10H2,1H3,(H,23,26)(H,22,24,27)
InChIKeyRBELFUNYJAZQCC-UHFFFAOYSA-N
MW364.41 g/mol
LogP1.99
Rot. Bonds6

About N-[3-hydroxy-1-(4-methylphenyl)propyl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide

N-[3-hydroxy-1-(4-methylphenyl)propyl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide (PubChem CID 72898375) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is N-[3-hydroxy-1-(4-methylphenyl)propyl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[3-hydroxy-1-(4-methylphenyl)propyl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide
PubChem CID72898375
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC NameN-[3-hydroxy-1-(4-methylphenyl)propyl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide
SMILESCc1ccc(C(CCO)NC(=O)c2cnc(-c3cccnc3)[nH]c2=O)cc1
InChIInChI=1S/C20H20N4O3/c1-13-4-6-14(7-5-13)17(8-10-25)23-19(26)16-12-22-18(24-20(16)27)15-3-2-9-21-11-15/h2-7,9,11-12,17,25H,8,10H2,1H3,(H,23,26)(H,22,24,27)
InChIKeyRBELFUNYJAZQCC-UHFFFAOYSA-N
XLogP1.99
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide
CID 97129962
N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide
CID 97146618
N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide
CID 72918666
N-[[3-(difluoromethoxy)phenyl]methyl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide
CID 72881111
2-(4-chlorophenyl)-6-oxo-N-(pyridin-3-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 108786175
6-oxo-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-2-pyridin-4-yl-1H-pyrimidine-5-carboxamide
CID 72869433
N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-2-(4-methylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 70723183
N-[(1R)-3-hydroxy-1-phenylpropyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 97117724
2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-N-(1-phenylpropyl)-1H-pyrimidine-5-carboxamide
CID 90384979
(3R)-3-(2-fluorophenyl)-3-[(6-oxo-2-pyridin-4-yl-1H-pyrimidine-5-carbonyl)amino]propanoic acid
CID 97438177
2-methyl-N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 77095447
N-[(4-chlorophenyl)methyl]-6-oxo-N-propyl-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide
CID 72870603

Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-1-(4-methylphenyl)propyl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-[3-hydroxy-1-(4-methylphenyl)propyl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide (CID 72898375) is N-[3-hydroxy-1-(4-methylphenyl)propyl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-[3-hydroxy-1-(4-methylphenyl)propyl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-[3-hydroxy-1-(4-methylphenyl)propyl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide is Cc1ccc(C(CCO)NC(=O)c2cnc(-c3cccnc3)[nH]c2=O)cc1.
What is the InChIKey of N-[3-hydroxy-1-(4-methylphenyl)propyl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide?
The InChIKey is RBELFUNYJAZQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-13-4-6-14(7-5-13)17(8-10-25)23-19(26)16-12-22-18(24-20(16)27)15-3-2-9-21-11-15/h2-7,9,11-12,17,25H,8,10H2,1H3,(H,23,26)(H,22,24,27).
What are the key properties of N-[3-hydroxy-1-(4-methylphenyl)propyl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide?
N-[3-hydroxy-1-(4-methylphenyl)propyl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 1.99, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-hydroxy-1-(4-methylphenyl)propyl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 72898375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).