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

C24H24FN5O4 — CID 135598699

IUPACN-[(4-fluorophenyl)methyl]-5-hydroxy-2-[2-methyl-1-(pyridine-2-carbonyl)piperidin-2-yl]-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCC1(c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)[nH]2)CCCCN1C(=O)c1ccccn1
InChIInChI=1S/C24H24FN5O4/c1-24(11-3-5-13-30(24)22(34)17-6-2-4-12-26-17)23-28-18(19(31)21(33)29-23)20(32)27-14-15-7-9-16(25)10-8-15/h2,4,6-10,12,31H,3,5,11,13-14H2,1H3,(H,27,32)(H,28,29,33)
InChIKeyVHACNOASQXJZKY-UHFFFAOYSA-N
MW465.49 g/mol
LogP2.48
Rot. Bonds5

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

N-[(4-fluorophenyl)methyl]-5-hydroxy-2-[2-methyl-1-(pyridine-2-carbonyl)piperidin-2-yl]-6-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 135598699) has the molecular formula C24H24FN5O4 and a molecular weight of 465.49 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-5-hydroxy-2-[2-methyl-1-(pyridine-2-carbonyl)piperidin-2-yl]-6-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-5-hydroxy-2-[2-methyl-1-(pyridine-2-carbonyl)piperidin-2-yl]-6-oxo-1H-pyrimidine-4-carboxamide
PubChem CID135598699
Molecular FormulaC24H24FN5O4
Molecular Weight465.49 g/mol
Exact Mass465.18
IUPAC NameN-[(4-fluorophenyl)methyl]-5-hydroxy-2-[2-methyl-1-(pyridine-2-carbonyl)piperidin-2-yl]-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCC1(c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)[nH]2)CCCCN1C(=O)c1ccccn1
InChIInChI=1S/C24H24FN5O4/c1-24(11-3-5-13-30(24)22(34)17-6-2-4-12-26-17)23-28-18(19(31)21(33)29-23)20(32)27-14-15-7-9-16(25)10-8-15/h2,4,6-10,12,31H,3,5,11,13-14H2,1H3,(H,27,32)(H,28,29,33)
InChIKeyVHACNOASQXJZKY-UHFFFAOYSA-N
XLogP2.48
TPSA128.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.49
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[(4-fluorophenyl)methyl]-5-hydroxy-2-[2-methyl-1-(pyridine-2-carbonyl)piperidin-2-yl]-6-oxo-1H-pyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(dimethylamino)cyclopropyl]-N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide
CID 135446250
N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-[1-(pyridine-2-carbonyl)piperidin-2-yl]pyrimidine-4-carboxamide
CID 54712010
N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-2-[1-(pyrazine-2-carbonylamino)cyclopropyl]-1H-pyrimidine-4-carboxamide
CID 135598685
N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-2-(piperazine-1-carbonyl)-1H-pyrimidine-4-carboxamide
CID 135602055
N-[(4-fluorophenyl)methyl]-3-hydroxy-8-methyl-9-[[methyl(pyridine-2-carbonyl)amino]methyl]-4-oxo-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidine-2-carboxamide
CID 54698267
N-[(4-fluorophenyl)methyl]-2-[(4-formylpiperazin-1-yl)-phenylmethyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide
CID 135602002
2-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-2-yl]-N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide
CID 135932130
N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-2-(1-phenacylpiperidin-2-yl)-1H-pyrimidine-4-carboxamide
CID 135602005
N-[(4-fluorophenyl)methyl]-3-hydroxy-10,10-dimethyl-4-oxo-6,7,8,9-tetrahydropyrimido[1,2-d][1,4]diazepine-2-carboxamide
CID 54684170
2-(1-acetylpiperidin-3-yl)-N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide
CID 135601585
N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-2-[2-(pyrazine-2-carbonylamino)propan-2-yl]-1H-pyrimidine-4-carboxamide
CID 135598679
N-[(4-fluorophenyl)methyl]-5-hydroxy-2-(morpholin-4-ylmethyl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 135598712

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-5-hydroxy-2-[2-methyl-1-(pyridine-2-carbonyl)piperidin-2-yl]-6-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-5-hydroxy-2-[2-methyl-1-(pyridine-2-carbonyl)piperidin-2-yl]-6-oxo-1H-pyrimidine-4-carboxamide (CID 135598699) is N-[(4-fluorophenyl)methyl]-5-hydroxy-2-[2-methyl-1-(pyridine-2-carbonyl)piperidin-2-yl]-6-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-5-hydroxy-2-[2-methyl-1-(pyridine-2-carbonyl)piperidin-2-yl]-6-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-5-hydroxy-2-[2-methyl-1-(pyridine-2-carbonyl)piperidin-2-yl]-6-oxo-1H-pyrimidine-4-carboxamide is CC1(c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)[nH]2)CCCCN1C(=O)c1ccccn1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-5-hydroxy-2-[2-methyl-1-(pyridine-2-carbonyl)piperidin-2-yl]-6-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is VHACNOASQXJZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O4/c1-24(11-3-5-13-30(24)22(34)17-6-2-4-12-26-17)23-28-18(19(31)21(33)29-23)20(32)27-14-15-7-9-16(25)10-8-15/h2,4,6-10,12,31H,3,5,11,13-14H2,1H3,(H,27,32)(H,28,29,33).
What are the key properties of N-[(4-fluorophenyl)methyl]-5-hydroxy-2-[2-methyl-1-(pyridine-2-carbonyl)piperidin-2-yl]-6-oxo-1H-pyrimidine-4-carboxamide?
N-[(4-fluorophenyl)methyl]-5-hydroxy-2-[2-methyl-1-(pyridine-2-carbonyl)piperidin-2-yl]-6-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 465.49 g/mol, XLogP of 2.48, 5 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-2-[2-methyl-1-(pyridine-2-carbonyl)piperidin-2-yl]-6-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 135598699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).