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

C20H21FN6O — CID 90519982

IUPACN-(2-fluorophenyl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESCc1nccn1-c1cc(N2CCC(C(=O)Nc3ccccc3F)CC2)ncn1
InChIInChI=1S/C20H21FN6O/c1-14-22-8-11-27(14)19-12-18(23-13-24-19)26-9-6-15(7-10-26)20(28)25-17-5-3-2-4-16(17)21/h2-5,8,11-13,15H,6-7,9-10H2,1H3,(H,25,28)
InChIKeyYIQKVMWCMBFSSM-UHFFFAOYSA-N
MW380.43 g/mol
LogP2.96
Rot. Bonds4

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

N-(2-fluorophenyl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide (PubChem CID 90519982) has the molecular formula C20H21FN6O and a molecular weight of 380.43 g/mol. Its IUPAC name is N-(2-fluorophenyl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
PubChem CID90519982
Molecular FormulaC20H21FN6O
Molecular Weight380.43 g/mol
Exact Mass380.18
IUPAC NameN-(2-fluorophenyl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESCc1nccn1-c1cc(N2CCC(C(=O)Nc3ccccc3F)CC2)ncn1
InChIInChI=1S/C20H21FN6O/c1-14-22-8-11-27(14)19-12-18(23-13-24-19)26-9-6-15(7-10-26)20(28)25-17-5-3-2-4-16(17)21/h2-5,8,11-13,15H,6-7,9-10H2,1H3,(H,25,28)
InChIKeyYIQKVMWCMBFSSM-UHFFFAOYSA-N
XLogP2.96
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-difluorophenyl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90519984
N-(2-ethylphenyl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90520046
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-(9H-fluoren-2-yl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90520131
methyl 4-[[1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carbonyl]amino]benzoate
CID 90520001
4-[4-(2-fluorophenyl)piperazin-1-yl]-6-(2-methylimidazol-1-yl)pyrimidine
CID 154829213
1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide
CID 90520144
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-fluorophenyl)-2-[4-[(2-methoxy-5-methylphenyl)carbamoyl]piperidin-1-yl]pyridine-4-carboxamide
CID 46360832

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide (CID 90519982) is N-(2-fluorophenyl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide is Cc1nccn1-c1cc(N2CCC(C(=O)Nc3ccccc3F)CC2)ncn1.
What is the InChIKey of N-(2-fluorophenyl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide?
The InChIKey is YIQKVMWCMBFSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN6O/c1-14-22-8-11-27(14)19-12-18(23-13-24-19)26-9-6-15(7-10-26)20(28)25-17-5-3-2-4-16(17)21/h2-5,8,11-13,15H,6-7,9-10H2,1H3,(H,25,28).
What are the key properties of N-(2-fluorophenyl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide?
N-(2-fluorophenyl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide has a molecular weight of 380.43 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 90519982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).