4-[(3,3-difluorocyclohexanecarbonyl)amino]pyridine-2-carboxamide

C13H15F2N3O2 — CID 177192399

IUPAC4-[(3,3-difluorocyclohexanecarbonyl)amino]pyridine-2-carboxamide
SMILESNC(=O)c1cc(NC(=O)C2CCCC(F)(F)C2)ccn1
InChIInChI=1S/C13H15F2N3O2/c14-13(15)4-1-2-8(7-13)12(20)18-9-3-5-17-10(6-9)11(16)19/h3,5-6,8H,1-2,4,7H2,(H2,16,19)(H,17,18,20)
InChIKeyKGSMNFLUNRKJDT-UHFFFAOYSA-N
MW283.28 g/mol
LogP1.94
Rot. Bonds3

About 4-[(3,3-difluorocyclohexanecarbonyl)amino]pyridine-2-carboxamide

4-[(3,3-difluorocyclohexanecarbonyl)amino]pyridine-2-carboxamide (PubChem CID 177192399) has the molecular formula C13H15F2N3O2 and a molecular weight of 283.28 g/mol. Its IUPAC name is 4-[(3,3-difluorocyclohexanecarbonyl)amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[(3,3-difluorocyclohexanecarbonyl)amino]pyridine-2-carboxamide
PubChem CID177192399
Molecular FormulaC13H15F2N3O2
Molecular Weight283.28 g/mol
Exact Mass283.11
IUPAC Name4-[(3,3-difluorocyclohexanecarbonyl)amino]pyridine-2-carboxamide
SMILESNC(=O)c1cc(NC(=O)C2CCCC(F)(F)C2)ccn1
InChIInChI=1S/C13H15F2N3O2/c14-13(15)4-1-2-8(7-13)12(20)18-9-3-5-17-10(6-9)11(16)19/h3,5-6,8H,1-2,4,7H2,(H2,16,19)(H,17,18,20)
InChIKeyKGSMNFLUNRKJDT-UHFFFAOYSA-N
XLogP1.94
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,1-difluorocyclohexane;4-[[(1S)-3,3-difluorocyclohexanecarbonyl]amino]pyridine-2-carboxamide
CID 178021073
(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
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
N-(2-chloro-5-iodophenyl)-3,3-difluorocyclohexane-1-carboxamide
CID 114258882
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
4-(3-cyclohexylpropanoylamino)pyridine-2-carboxamide
CID 175815050
4-(1-cyclopropylethylamino)pyridine-2-carboxamide
CID 43533522
N-(3-amino-2-pyridinyl)-3,3-difluorocyclopentane-1-carboxamide
CID 114226135
N-(6-chloropyrazin-2-yl)-3,3-difluorocyclohexane-1-carboxamide
CID 114226828

Frequently Asked Questions

What is the IUPAC name of 4-[(3,3-difluorocyclohexanecarbonyl)amino]pyridine-2-carboxamide?
The IUPAC name of 4-[(3,3-difluorocyclohexanecarbonyl)amino]pyridine-2-carboxamide (CID 177192399) is 4-[(3,3-difluorocyclohexanecarbonyl)amino]pyridine-2-carboxamide.
What is the SMILES notation for 4-[(3,3-difluorocyclohexanecarbonyl)amino]pyridine-2-carboxamide?
The canonical SMILES for 4-[(3,3-difluorocyclohexanecarbonyl)amino]pyridine-2-carboxamide is NC(=O)c1cc(NC(=O)C2CCCC(F)(F)C2)ccn1.
What is the InChIKey of 4-[(3,3-difluorocyclohexanecarbonyl)amino]pyridine-2-carboxamide?
The InChIKey is KGSMNFLUNRKJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O2/c14-13(15)4-1-2-8(7-13)12(20)18-9-3-5-17-10(6-9)11(16)19/h3,5-6,8H,1-2,4,7H2,(H2,16,19)(H,17,18,20).
What are the key properties of 4-[(3,3-difluorocyclohexanecarbonyl)amino]pyridine-2-carboxamide?
4-[(3,3-difluorocyclohexanecarbonyl)amino]pyridine-2-carboxamide has a molecular weight of 283.28 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,3-difluorocyclohexanecarbonyl)amino]pyridine-2-carboxamide is sourced from PubChem (CID 177192399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).