N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-2-(1-phenacylpiperidin-2-yl)-1H-pyrimidine-4-carboxamide

C25H25FN4O4 — CID 135602005

IUPACN-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-2-(1-phenacylpiperidin-2-yl)-1H-pyrimidine-4-carboxamide
SMILESO=C(CN1CCCCC1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)[nH]1)c1ccccc1
InChIInChI=1S/C25H25FN4O4/c26-18-11-9-16(10-12-18)14-27-24(33)21-22(32)25(34)29-23(28-21)19-8-4-5-13-30(19)15-20(31)17-6-2-1-3-7-17/h1-3,6-7,9-12,19,32H,4-5,8,13-15H2,(H,27,33)(H,28,29,34)
InChIKeyBHZSSDRLIXKLNV-UHFFFAOYSA-N
MW464.50 g/mol
LogP2.95
Rot. Bonds7

About N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-2-(1-phenacylpiperidin-2-yl)-1H-pyrimidine-4-carboxamide

N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-2-(1-phenacylpiperidin-2-yl)-1H-pyrimidine-4-carboxamide (PubChem CID 135602005) has the molecular formula C25H25FN4O4 and a molecular weight of 464.50 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-2-(1-phenacylpiperidin-2-yl)-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-2-(1-phenacylpiperidin-2-yl)-1H-pyrimidine-4-carboxamide
PubChem CID135602005
Molecular FormulaC25H25FN4O4
Molecular Weight464.50 g/mol
Exact Mass464.19
IUPAC NameN-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-2-(1-phenacylpiperidin-2-yl)-1H-pyrimidine-4-carboxamide
SMILESO=C(CN1CCCCC1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)[nH]1)c1ccccc1
InChIInChI=1S/C25H25FN4O4/c26-18-11-9-16(10-12-18)14-27-24(33)21-22(32)25(34)29-23(28-21)19-8-4-5-13-30(19)15-20(31)17-6-2-1-3-7-17/h1-3,6-7,9-12,19,32H,4-5,8,13-15H2,(H,27,33)(H,28,29,34)
InChIKeyBHZSSDRLIXKLNV-UHFFFAOYSA-N
XLogP2.95
TPSA115.39 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.50
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-[(4-fluorophenyl)methylcarbamoyl]-5-hydroxy-6-oxo-1H-pyrimidin-2-yl]piperidine-1-carboxylic acid
CID 136658860
2-[(2S,4R)-1-benzyl-4-phenylmethoxypyrrolidin-2-yl]-N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide
CID 135601611
2-(1-acetylpiperidin-3-yl)-N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide
CID 135601585
2-[4-[(4-fluorophenyl)methylcarbamoyl]-5-hydroxy-6-oxo-1H-pyrimidin-2-yl]-4-hydroxy-3-oxo-2,4-dihydroquinoline-1-carboxylic acid
CID 136652150
N-[(4-fluorophenyl)methyl]-2-[(2R)-2-phenylpyrrolidin-1-yl]acetamide
CID 41456048
N-[(4-fluorophenyl)methyl]-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetamide
CID 128983523
N-[(4-fluorophenyl)methyl]-2-[(4-formylpiperazin-1-yl)-phenylmethyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide
CID 135602002
2-cyclopentyl-N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide
CID 146000243
4-[[2-[4-(benzylcarbamoyl)-5-hydroxy-6-oxo-1H-pyrimidin-2-yl]phenyl]carbamoyl]piperidine-1-carboxylic acid
CID 136630717
N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-2-(piperazine-1-carbonyl)-1H-pyrimidine-4-carboxamide
CID 135602055
N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-[1-(pyridine-2-carbonyl)piperidin-2-yl]pyrimidine-4-carboxamide
CID 54712010
2-[[(6S)-2,6-dimethyl-2,3,6,7-tetrahydroindol-1-yl]-phenylmethyl]-N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide
CID 142236183

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-2-(1-phenacylpiperidin-2-yl)-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-2-(1-phenacylpiperidin-2-yl)-1H-pyrimidine-4-carboxamide (CID 135602005) is N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-2-(1-phenacylpiperidin-2-yl)-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-2-(1-phenacylpiperidin-2-yl)-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-2-(1-phenacylpiperidin-2-yl)-1H-pyrimidine-4-carboxamide is O=C(CN1CCCCC1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)[nH]1)c1ccccc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-2-(1-phenacylpiperidin-2-yl)-1H-pyrimidine-4-carboxamide?
The InChIKey is BHZSSDRLIXKLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O4/c26-18-11-9-16(10-12-18)14-27-24(33)21-22(32)25(34)29-23(28-21)19-8-4-5-13-30(19)15-20(31)17-6-2-1-3-7-17/h1-3,6-7,9-12,19,32H,4-5,8,13-15H2,(H,27,33)(H,28,29,34).
What are the key properties of N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-2-(1-phenacylpiperidin-2-yl)-1H-pyrimidine-4-carboxamide?
N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-2-(1-phenacylpiperidin-2-yl)-1H-pyrimidine-4-carboxamide has a molecular weight of 464.50 g/mol, XLogP of 2.95, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-2-(1-phenacylpiperidin-2-yl)-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 135602005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).