1-[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide

C24H26FN5O2 — CID 137275001

IUPAC1-[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
SMILESCc1nc(-c2ccc(N3CCC(C(=O)NCc4ccc(F)cc4)CC3)nc2)[nH]c(=O)c1C
InChIInChI=1S/C24H26FN5O2/c1-15-16(2)28-22(29-23(15)31)19-5-8-21(26-14-19)30-11-9-18(10-12-30)24(32)27-13-17-3-6-20(25)7-4-17/h3-8,14,18H,9-13H2,1-2H3,(H,27,32)(H,28,29,31)
InChIKeyIRLHSLXZFWHBLO-UHFFFAOYSA-N
MW435.50 g/mol
LogP3.12
Rot. Bonds5

About 1-[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide

1-[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide (PubChem CID 137275001) has the molecular formula C24H26FN5O2 and a molecular weight of 435.50 g/mol. Its IUPAC name is 1-[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
PubChem CID137275001
Molecular FormulaC24H26FN5O2
Molecular Weight435.50 g/mol
Exact Mass435.21
IUPAC Name1-[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
SMILESCc1nc(-c2ccc(N3CCC(C(=O)NCc4ccc(F)cc4)CC3)nc2)[nH]c(=O)c1C
InChIInChI=1S/C24H26FN5O2/c1-15-16(2)28-22(29-23(15)31)19-5-8-21(26-14-19)30-11-9-18(10-12-30)24(32)27-13-17-3-6-20(25)7-4-17/h3-8,14,18H,9-13H2,1-2H3,(H,27,32)(H,28,29,31)
InChIKeyIRLHSLXZFWHBLO-UHFFFAOYSA-N
XLogP3.12
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide with MolForge

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Related Compounds

1-[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 137273736
2-[6-[4-(4-fluorobenzoyl)piperidin-1-yl]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137262921
N-[(4-methylphenyl)methyl]-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperidine-4-carboxamide
CID 133356293
N-(5-chloro-2-pyridinyl)-1-[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]piperidine-3-carboxamide
CID 137268111
N-[(4-chlorophenyl)methyl]-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 39705993
4,5-dimethyl-2-[6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one
CID 137273768
N-[(4-chlorophenyl)methyl]-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30362689
N-[(4-fluorophenyl)methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 43814859
2-[6-[4-(2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137263133
N-[(4-fluorophenyl)methyl]-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30363820
N-[(4-methoxyphenyl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 4876895
N-[(4-fluorophenyl)methyl]-1-methylpiperidine-4-carboxamide
CID 70985646

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide (CID 137275001) is 1-[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide is Cc1nc(-c2ccc(N3CCC(C(=O)NCc4ccc(F)cc4)CC3)nc2)[nH]c(=O)c1C.
What is the InChIKey of 1-[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide?
The InChIKey is IRLHSLXZFWHBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O2/c1-15-16(2)28-22(29-23(15)31)19-5-8-21(26-14-19)30-11-9-18(10-12-30)24(32)27-13-17-3-6-20(25)7-4-17/h3-8,14,18H,9-13H2,1-2H3,(H,27,32)(H,28,29,31).
What are the key properties of 1-[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide?
1-[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide has a molecular weight of 435.50 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 137275001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).