(3S)-N-(2,5-difluorophenyl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide

C21H22F2N4O2 — CID 92866538

IUPAC(3S)-N-(2,5-difluorophenyl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
SMILESCc1nc(N2CCC[C@H](C(=O)Nc3cc(F)ccc3F)C2)c2c(C)c(C)oc2n1
InChIInChI=1S/C21H22F2N4O2/c1-11-12(2)29-21-18(11)19(24-13(3)25-21)27-8-4-5-14(10-27)20(28)26-17-9-15(22)6-7-16(17)23/h6-7,9,14H,4-5,8,10H2,1-3H3,(H,26,28)/t14-/m0/s1
InChIKeyRVJJUKPIRPJOEE-AWEZNQCLSA-N
MW400.43 g/mol
LogP4.28
Rot. Bonds3

About (3S)-N-(2,5-difluorophenyl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide

(3S)-N-(2,5-difluorophenyl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide (PubChem CID 92866538) has the molecular formula C21H22F2N4O2 and a molecular weight of 400.43 g/mol. Its IUPAC name is (3S)-N-(2,5-difluorophenyl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2,5-difluorophenyl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
PubChem CID92866538
Molecular FormulaC21H22F2N4O2
Molecular Weight400.43 g/mol
Exact Mass400.17
IUPAC Name(3S)-N-(2,5-difluorophenyl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
SMILESCc1nc(N2CCC[C@H](C(=O)Nc3cc(F)ccc3F)C2)c2c(C)c(C)oc2n1
InChIInChI=1S/C21H22F2N4O2/c1-11-12(2)29-21-18(11)19(24-13(3)25-21)27-8-4-5-14(10-27)20(28)26-17-9-15(22)6-7-16(17)23/h6-7,9,14H,4-5,8,10H2,1-3H3,(H,26,28)/t14-/m0/s1
InChIKeyRVJJUKPIRPJOEE-AWEZNQCLSA-N
XLogP4.28
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-(4-methylphenyl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92866568
(3R)-N-[(3-fluorophenyl)methyl]-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92866611
(3R)-N-(4-acetylphenyl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92866403
(3S)-N-(4-acetylphenyl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92866404
N-(2-chloro-4-fluorophenyl)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 46290069
N-[4-(trifluoromethoxy)phenyl]-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 46290266
(3R)-N-cyclopentyl-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92866437
(3R)-N-cyclooctyl-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92866435
N-(2,5-difluorophenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
CID 3224260
(3R)-N-[(3-methylphenyl)methyl]-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92866503
(3S)-N-(4-bromo-2-fluorophenyl)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92866236
(3R)-N-[(4-methoxyphenyl)methyl]-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92866465

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2,5-difluorophenyl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(2,5-difluorophenyl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide (CID 92866538) is (3S)-N-(2,5-difluorophenyl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(2,5-difluorophenyl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(2,5-difluorophenyl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide is Cc1nc(N2CCC[C@H](C(=O)Nc3cc(F)ccc3F)C2)c2c(C)c(C)oc2n1.
What is the InChIKey of (3S)-N-(2,5-difluorophenyl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide?
The InChIKey is RVJJUKPIRPJOEE-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H22F2N4O2/c1-11-12(2)29-21-18(11)19(24-13(3)25-21)27-8-4-5-14(10-27)20(28)26-17-9-15(22)6-7-16(17)23/h6-7,9,14H,4-5,8,10H2,1-3H3,(H,26,28)/t14-/m0/s1.
What are the key properties of (3S)-N-(2,5-difluorophenyl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide?
(3S)-N-(2,5-difluorophenyl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide has a molecular weight of 400.43 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2,5-difluorophenyl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 92866538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).