1,1-difluorocyclohexane;4-[[(1S)-3,3-difluorocyclohexanecarbonyl]amino]pyridine-2-carboxamide

C19H25F4N3O2 — CID 178021073

IUPAC1,1-difluorocyclohexane;4-[[(1S)-3,3-difluorocyclohexanecarbonyl]amino]pyridine-2-carboxamide
SMILESFC1(F)CCCCC1.NC(=O)c1cc(NC(=O)[C@H]2CCCC(F)(F)C2)ccn1
InChIInChI=1S/C13H15F2N3O2.C6H10F2/c14-13(15)4-1-2-8(7-13)12(20)18-9-3-5-17-10(6-9)11(16)19;7-6(8)4-2-1-3-5-6/h3,5-6,8H,1-2,4,7H2,(H2,16,19)(H,17,18,20);1-5H2/t8-;/m0./s1
InChIKeyGQQAMOGTYGYSPH-QRPNPIFTSA-N
MW403.42 g/mol
LogP4.53
Rot. Bonds3

About 1,1-difluorocyclohexane;4-[[(1S)-3,3-difluorocyclohexanecarbonyl]amino]pyridine-2-carboxamide

1,1-difluorocyclohexane;4-[[(1S)-3,3-difluorocyclohexanecarbonyl]amino]pyridine-2-carboxamide (PubChem CID 178021073) has the molecular formula C19H25F4N3O2 and a molecular weight of 403.42 g/mol. Its IUPAC name is 1,1-difluorocyclohexane;4-[[(1S)-3,3-difluorocyclohexanecarbonyl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name1,1-difluorocyclohexane;4-[[(1S)-3,3-difluorocyclohexanecarbonyl]amino]pyridine-2-carboxamide
PubChem CID178021073
Molecular FormulaC19H25F4N3O2
Molecular Weight403.42 g/mol
Exact Mass403.19
IUPAC Name1,1-difluorocyclohexane;4-[[(1S)-3,3-difluorocyclohexanecarbonyl]amino]pyridine-2-carboxamide
SMILESFC1(F)CCCCC1.NC(=O)c1cc(NC(=O)[C@H]2CCCC(F)(F)C2)ccn1
InChIInChI=1S/C13H15F2N3O2.C6H10F2/c14-13(15)4-1-2-8(7-13)12(20)18-9-3-5-17-10(6-9)11(16)19;7-6(8)4-2-1-3-5-6/h3,5-6,8H,1-2,4,7H2,(H2,16,19)(H,17,18,20);1-5H2/t8-;/m0./s1
InChIKeyGQQAMOGTYGYSPH-QRPNPIFTSA-N
XLogP4.53
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.42
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3,3-difluorocyclohexanecarbonyl)amino]pyridine-2-carboxamide
CID 177192399
(1S)-N-(2-aminosulfanyl-4-pyridinyl)-3,3-difluorocyclohexane-1-carboxamide;1,2-dichlorobenzene
CID 177192771
N-(2-tert-butylpyrimidin-5-yl)-3,3-difluorocyclohexane-1-carboxamide
CID 146121815
N-(2-chloro-5-iodophenyl)-3,3-difluorocyclohexane-1-carboxamide
CID 114258882
4-(2,5-dioxaspiro[3.4]octane-6-carbonylamino)pyridine-2-carboxamide
CID 166159349
1,2-difluoro-3-methoxybenzene;N-[2-(1,2-dihydroxyethyl)-4-pyridinyl]-3,3-difluorocyclohexane-1-carboxamide
CID 177192836
4-(3-cyclohexylpropanoylamino)pyridine-2-carboxamide
CID 175815050
methyl 4-[[2-(4,4-difluorocyclohexyl)-5,5-difluorocyclohexanecarbonyl]amino]pyridine-2-carboxylate
CID 178021079
(6S)-N,5-bis(2-carbamoyl-4-pyridinyl)-7,7-dimethyl-5-azaspiro[2.4]heptane-6-carboxamide
CID 177218464
3,3-difluoro-N-(6-methyl-2-phenylpyrimidin-4-yl)cyclohexane-1-carboxamide
CID 132971349
4-(1-cyclopropylethylamino)pyridine-2-carboxamide
CID 43533522
N-(3-amino-2-pyridinyl)-3,3-difluorocyclopentane-1-carboxamide
CID 114226135

Frequently Asked Questions

What is the IUPAC name of 1,1-difluorocyclohexane;4-[[(1S)-3,3-difluorocyclohexanecarbonyl]amino]pyridine-2-carboxamide?
The IUPAC name of 1,1-difluorocyclohexane;4-[[(1S)-3,3-difluorocyclohexanecarbonyl]amino]pyridine-2-carboxamide (CID 178021073) is 1,1-difluorocyclohexane;4-[[(1S)-3,3-difluorocyclohexanecarbonyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for 1,1-difluorocyclohexane;4-[[(1S)-3,3-difluorocyclohexanecarbonyl]amino]pyridine-2-carboxamide?
The canonical SMILES for 1,1-difluorocyclohexane;4-[[(1S)-3,3-difluorocyclohexanecarbonyl]amino]pyridine-2-carboxamide is FC1(F)CCCCC1.NC(=O)c1cc(NC(=O)[C@H]2CCCC(F)(F)C2)ccn1.
What is the InChIKey of 1,1-difluorocyclohexane;4-[[(1S)-3,3-difluorocyclohexanecarbonyl]amino]pyridine-2-carboxamide?
The InChIKey is GQQAMOGTYGYSPH-QRPNPIFTSA-N. The full InChI is InChI=1S/C13H15F2N3O2.C6H10F2/c14-13(15)4-1-2-8(7-13)12(20)18-9-3-5-17-10(6-9)11(16)19;7-6(8)4-2-1-3-5-6/h3,5-6,8H,1-2,4,7H2,(H2,16,19)(H,17,18,20);1-5H2/t8-;/m0./s1.
What are the key properties of 1,1-difluorocyclohexane;4-[[(1S)-3,3-difluorocyclohexanecarbonyl]amino]pyridine-2-carboxamide?
1,1-difluorocyclohexane;4-[[(1S)-3,3-difluorocyclohexanecarbonyl]amino]pyridine-2-carboxamide has a molecular weight of 403.42 g/mol, XLogP of 4.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluorocyclohexane;4-[[(1S)-3,3-difluorocyclohexanecarbonyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 178021073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).