(4R)-4-(3,4-difluorophenyl)-2-oxo-N-[3-(4-pyridin-2-ylpiperidin-1-yl)propyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide

C24H27F2N5O2 — CID 10647424

IUPAC(4R)-4-(3,4-difluorophenyl)-2-oxo-N-[3-(4-pyridin-2-ylpiperidin-1-yl)propyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESO=C1NC=C(C(=O)NCCCN2CCC(c3ccccn3)CC2)[C@@H](c2ccc(F)c(F)c2)N1
InChIInChI=1S/C24H27F2N5O2/c25-19-6-5-17(14-20(19)26)22-18(15-29-24(33)30-22)23(32)28-10-3-11-31-12-7-16(8-13-31)21-4-1-2-9-27-21/h1-2,4-6,9,14-16,22H,3,7-8,10-13H2,(H,28,32)(H2,29,30,33)/t22-/m1/s1
InChIKeyZMXFHYHEZZYYHG-JOCHJYFZSA-N
MW455.51 g/mol
LogP2.98
Rot. Bonds7

About (4R)-4-(3,4-difluorophenyl)-2-oxo-N-[3-(4-pyridin-2-ylpiperidin-1-yl)propyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide

(4R)-4-(3,4-difluorophenyl)-2-oxo-N-[3-(4-pyridin-2-ylpiperidin-1-yl)propyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 10647424) has the molecular formula C24H27F2N5O2 and a molecular weight of 455.51 g/mol. Its IUPAC name is (4R)-4-(3,4-difluorophenyl)-2-oxo-N-[3-(4-pyridin-2-ylpiperidin-1-yl)propyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name(4R)-4-(3,4-difluorophenyl)-2-oxo-N-[3-(4-pyridin-2-ylpiperidin-1-yl)propyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
PubChem CID10647424
Molecular FormulaC24H27F2N5O2
Molecular Weight455.51 g/mol
Exact Mass455.21
IUPAC Name(4R)-4-(3,4-difluorophenyl)-2-oxo-N-[3-(4-pyridin-2-ylpiperidin-1-yl)propyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESO=C1NC=C(C(=O)NCCCN2CCC(c3ccccn3)CC2)[C@@H](c2ccc(F)c(F)c2)N1
InChIInChI=1S/C24H27F2N5O2/c25-19-6-5-17(14-20(19)26)22-18(15-29-24(33)30-22)23(32)28-10-3-11-31-12-7-16(8-13-31)21-4-1-2-9-27-21/h1-2,4-6,9,14-16,22H,3,7-8,10-13H2,(H,28,32)(H2,29,30,33)/t22-/m1/s1
InChIKeyZMXFHYHEZZYYHG-JOCHJYFZSA-N
XLogP2.98
TPSA86.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.51
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (4R)-4-(3,4-difluorophenyl)-2-oxo-N-[3-(4-pyridin-2-ylpiperidin-1-yl)propyl]-3,4-dihydro-1H-pyrimidine-5-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

Daporinad
CID 6914657
Kx2-361
CID 11545920
L-771688
CID 9874983
C3A receptor agonist
CID 44430519
(3R)-4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(pyridin-2-ylmethyl)-1,4-diazepan-2-one
CID 23646451
3-Methyl-n-(1-oxy-3',4',5',6'-tetrahydro-2'h-(2,4'-bipyridine)-1'-ylmethyl)benzamide
CID 16094676
(3R,7R)-4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-7-methyl-3-(pyridin-2-ylmethyl)-1,4-diazepan-2-one
CID 23647130
Bay-678
CID 23728722
6-(3-Fluorophenyl)-N-[1-(2,2,2-Trifluoroethyl)piperidin-4-Yl]pyridine-3-Carboxamide
CID 24991044
(4R)-4-(3,4-difluorophenyl)-6-(methoxymethyl)-2-oxo-N-[3-(4-pyridin-2-ylpiperidin-1-yl)propyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 10529370
6-Phenyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]nicotinamide
CID 59743886
Tc-6987
CID 44511587

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(3,4-difluorophenyl)-2-oxo-N-[3-(4-pyridin-2-ylpiperidin-1-yl)propyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The IUPAC name of (4R)-4-(3,4-difluorophenyl)-2-oxo-N-[3-(4-pyridin-2-ylpiperidin-1-yl)propyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 10647424) is (4R)-4-(3,4-difluorophenyl)-2-oxo-N-[3-(4-pyridin-2-ylpiperidin-1-yl)propyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for (4R)-4-(3,4-difluorophenyl)-2-oxo-N-[3-(4-pyridin-2-ylpiperidin-1-yl)propyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The canonical SMILES for (4R)-4-(3,4-difluorophenyl)-2-oxo-N-[3-(4-pyridin-2-ylpiperidin-1-yl)propyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide is O=C1NC=C(C(=O)NCCCN2CCC(c3ccccn3)CC2)[C@@H](c2ccc(F)c(F)c2)N1.
What is the InChIKey of (4R)-4-(3,4-difluorophenyl)-2-oxo-N-[3-(4-pyridin-2-ylpiperidin-1-yl)propyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The InChIKey is ZMXFHYHEZZYYHG-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H27F2N5O2/c25-19-6-5-17(14-20(19)26)22-18(15-29-24(33)30-22)23(32)28-10-3-11-31-12-7-16(8-13-31)21-4-1-2-9-27-21/h1-2,4-6,9,14-16,22H,3,7-8,10-13H2,(H,28,32)(H2,29,30,33)/t22-/m1/s1.
What are the key properties of (4R)-4-(3,4-difluorophenyl)-2-oxo-N-[3-(4-pyridin-2-ylpiperidin-1-yl)propyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide?
(4R)-4-(3,4-difluorophenyl)-2-oxo-N-[3-(4-pyridin-2-ylpiperidin-1-yl)propyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 455.51 g/mol, XLogP of 2.98, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(3,4-difluorophenyl)-2-oxo-N-[3-(4-pyridin-2-ylpiperidin-1-yl)propyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 10647424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).