(4R)-4-(3,4-difluorophenyl)-6-methyl-2-oxo-N-[3-(4-pyridin-2-ylpiperidin-1-yl)propyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide

C25H29F2N5O2 — CID 10576280

IUPAC(4R)-4-(3,4-difluorophenyl)-6-methyl-2-oxo-N-[3-(4-pyridin-2-ylpiperidin-1-yl)propyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)NCCCN2CCC(c3ccccn3)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1
InChIInChI=1S/C25H29F2N5O2/c1-16-22(23(31-25(34)30-16)18-6-7-19(26)20(27)15-18)24(33)29-11-4-12-32-13-8-17(9-14-32)21-5-2-3-10-28-21/h2-3,5-7,10,15,17,23H,4,8-9,11-14H2,1H3,(H,29,33)(H2,30,31,34)/t23-/m1/s1
InChIKeyMYUYYJFZKXHBBD-HSZRJFAPSA-N
MW469.54 g/mol
LogP3.37
Rot. Bonds7

About (4R)-4-(3,4-difluorophenyl)-6-methyl-2-oxo-N-[3-(4-pyridin-2-ylpiperidin-1-yl)propyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide

(4R)-4-(3,4-difluorophenyl)-6-methyl-2-oxo-N-[3-(4-pyridin-2-ylpiperidin-1-yl)propyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 10576280) has the molecular formula C25H29F2N5O2 and a molecular weight of 469.54 g/mol. Its IUPAC name is (4R)-4-(3,4-difluorophenyl)-6-methyl-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)-6-methyl-2-oxo-N-[3-(4-pyridin-2-ylpiperidin-1-yl)propyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
PubChem CID10576280
Molecular FormulaC25H29F2N5O2
Molecular Weight469.54 g/mol
Exact Mass469.23
IUPAC Name(4R)-4-(3,4-difluorophenyl)-6-methyl-2-oxo-N-[3-(4-pyridin-2-ylpiperidin-1-yl)propyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)NCCCN2CCC(c3ccccn3)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1
InChIInChI=1S/C25H29F2N5O2/c1-16-22(23(31-25(34)30-16)18-6-7-19(26)20(27)15-18)24(33)29-11-4-12-32-13-8-17(9-14-32)21-5-2-3-10-28-21/h2-3,5-7,10,15,17,23H,4,8-9,11-14H2,1H3,(H,29,33)(H2,30,31,34)/t23-/m1/s1
InChIKeyMYUYYJFZKXHBBD-HSZRJFAPSA-N
XLogP3.37
TPSA86.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.54
LogP ≤ 53.37
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)-6-methyl-2-oxo-N-[3-(4-pyridin-2-ylpiperidin-1-yl)propyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(3,4-difluorophenyl)-6-methyl-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)-6-methyl-2-oxo-N-[3-(4-pyridin-2-ylpiperidin-1-yl)propyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 10576280) is (4R)-4-(3,4-difluorophenyl)-6-methyl-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)-6-methyl-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)-6-methyl-2-oxo-N-[3-(4-pyridin-2-ylpiperidin-1-yl)propyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide is CC1=C(C(=O)NCCCN2CCC(c3ccccn3)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1.
What is the InChIKey of (4R)-4-(3,4-difluorophenyl)-6-methyl-2-oxo-N-[3-(4-pyridin-2-ylpiperidin-1-yl)propyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The InChIKey is MYUYYJFZKXHBBD-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H29F2N5O2/c1-16-22(23(31-25(34)30-16)18-6-7-19(26)20(27)15-18)24(33)29-11-4-12-32-13-8-17(9-14-32)21-5-2-3-10-28-21/h2-3,5-7,10,15,17,23H,4,8-9,11-14H2,1H3,(H,29,33)(H2,30,31,34)/t23-/m1/s1.
What are the key properties of (4R)-4-(3,4-difluorophenyl)-6-methyl-2-oxo-N-[3-(4-pyridin-2-ylpiperidin-1-yl)propyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide?
(4R)-4-(3,4-difluorophenyl)-6-methyl-2-oxo-N-[3-(4-pyridin-2-ylpiperidin-1-yl)propyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 469.54 g/mol, XLogP of 3.37, 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)-6-methyl-2-oxo-N-[3-(4-pyridin-2-ylpiperidin-1-yl)propyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 10576280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).