N-(2,4-difluorophenyl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide

C20H20F2N6O — CID 90519984

IUPACN-(2,4-difluorophenyl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESCc1nccn1-c1cc(N2CCC(C(=O)Nc3ccc(F)cc3F)CC2)ncn1
InChIInChI=1S/C20H20F2N6O/c1-13-23-6-9-28(13)19-11-18(24-12-25-19)27-7-4-14(5-8-27)20(29)26-17-3-2-15(21)10-16(17)22/h2-3,6,9-12,14H,4-5,7-8H2,1H3,(H,26,29)
InChIKeyKTBZUNSYAVTWQB-UHFFFAOYSA-N
MW398.42 g/mol
LogP3.10
Rot. Bonds4

About N-(2,4-difluorophenyl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide

N-(2,4-difluorophenyl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide (PubChem CID 90519984) has the molecular formula C20H20F2N6O and a molecular weight of 398.42 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
PubChem CID90519984
Molecular FormulaC20H20F2N6O
Molecular Weight398.42 g/mol
Exact Mass398.17
IUPAC NameN-(2,4-difluorophenyl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESCc1nccn1-c1cc(N2CCC(C(=O)Nc3ccc(F)cc3F)CC2)ncn1
InChIInChI=1S/C20H20F2N6O/c1-13-23-6-9-28(13)19-11-18(24-12-25-19)27-7-4-14(5-8-27)20(29)26-17-3-2-15(21)10-16(17)22/h2-3,6,9-12,14H,4-5,7-8H2,1H3,(H,26,29)
InChIKeyKTBZUNSYAVTWQB-UHFFFAOYSA-N
XLogP3.10
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-fluorophenyl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90519982
N-(2,4-dichlorophenyl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90520083
N-(4-chlorophenyl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90520063
N-(2-ethylphenyl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90520046
methyl 4-[[1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carbonyl]amino]benzoate
CID 90520001
N-(2,4-difluorophenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 3222644
N-(9H-fluoren-2-yl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90520131
N-[2-(2-methylimidazol-1-yl)ethyl]-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90520151
N,N,4-trimethyl-2-[[1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carbonyl]amino]-1,3-thiazole-5-carboxamide
CID 90520137
N-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90520133
N-(2,4-difluorophenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 46392060
1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide
CID 90520144

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide (CID 90519984) is N-(2,4-difluorophenyl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide is Cc1nccn1-c1cc(N2CCC(C(=O)Nc3ccc(F)cc3F)CC2)ncn1.
What is the InChIKey of N-(2,4-difluorophenyl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide?
The InChIKey is KTBZUNSYAVTWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N6O/c1-13-23-6-9-28(13)19-11-18(24-12-25-19)27-7-4-14(5-8-27)20(29)26-17-3-2-15(21)10-16(17)22/h2-3,6,9-12,14H,4-5,7-8H2,1H3,(H,26,29).
What are the key properties of N-(2,4-difluorophenyl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide?
N-(2,4-difluorophenyl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide has a molecular weight of 398.42 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 90519984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).