N-(4-chloro-2-fluorophenyl)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide

C20H20ClFN4O2 — CID 46289955

IUPACN-(4-chloro-2-fluorophenyl)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
SMILESCc1oc2ncnc(N3CCC(C(=O)Nc4ccc(Cl)cc4F)CC3)c2c1C
InChIInChI=1S/C20H20ClFN4O2/c1-11-12(2)28-20-17(11)18(23-10-24-20)26-7-5-13(6-8-26)19(27)25-16-4-3-14(21)9-15(16)22/h3-4,9-10,13H,5-8H2,1-2H3,(H,25,27)
InChIKeyCUUKASIIGPBAER-UHFFFAOYSA-N
MW402.86 g/mol
LogP4.49
Rot. Bonds3

About N-(4-chloro-2-fluorophenyl)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide

N-(4-chloro-2-fluorophenyl)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide (PubChem CID 46289955) has the molecular formula C20H20ClFN4O2 and a molecular weight of 402.86 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
PubChem CID46289955
Molecular FormulaC20H20ClFN4O2
Molecular Weight402.86 g/mol
Exact Mass402.13
IUPAC NameN-(4-chloro-2-fluorophenyl)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
SMILESCc1oc2ncnc(N3CCC(C(=O)Nc4ccc(Cl)cc4F)CC3)c2c1C
InChIInChI=1S/C20H20ClFN4O2/c1-11-12(2)28-20-17(11)18(23-10-24-20)26-7-5-13(6-8-26)19(27)25-16-4-3-14(21)9-15(16)22/h3-4,9-10,13H,5-8H2,1-2H3,(H,25,27)
InChIKeyCUUKASIIGPBAER-UHFFFAOYSA-N
XLogP4.49
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.86
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dimethoxyphenyl)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 46289909
(3S)-N-(4-bromo-2-fluorophenyl)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92866236
N-(2-chloro-4-fluorophenyl)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 46290069
1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-propan-2-ylpiperidine-4-carboxamide
CID 46289930
N-(4-chloro-2-fluorophenyl)-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-4-carboxamide
CID 46395464
N-(5-chloro-2-methoxyphenyl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 20929267
N-butyl-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 46289963
1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-(1-phenylethyl)piperidine-4-carboxamide
CID 46289932
1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-[(4-ethylphenyl)methyl]piperidine-4-carboxamide
CID 46289986
1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide
CID 46289938
(3R)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 92866163
(3R)-N-[(4-chlorophenyl)methyl]-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92866185

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide (CID 46289955) is N-(4-chloro-2-fluorophenyl)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide is Cc1oc2ncnc(N3CCC(C(=O)Nc4ccc(Cl)cc4F)CC3)c2c1C.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide?
The InChIKey is CUUKASIIGPBAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN4O2/c1-11-12(2)28-20-17(11)18(23-10-24-20)26-7-5-13(6-8-26)19(27)25-16-4-3-14(21)9-15(16)22/h3-4,9-10,13H,5-8H2,1-2H3,(H,25,27).
What are the key properties of N-(4-chloro-2-fluorophenyl)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide?
N-(4-chloro-2-fluorophenyl)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide has a molecular weight of 402.86 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 46289955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).