5,6-diamino-2-(2,2-difluoroethoxy)-N-[4-(difluoromethyl)cyclohexyl]pyridine-3-carboxamide

C15H20F4N4O2 — CID 88864262

IUPAC5,6-diamino-2-(2,2-difluoroethoxy)-N-[4-(difluoromethyl)cyclohexyl]pyridine-3-carboxamide
SMILESNc1cc(C(=O)NC2CCC(C(F)F)CC2)c(OCC(F)F)nc1N
InChIInChI=1S/C15H20F4N4O2/c16-11(17)6-25-15-9(5-10(20)13(21)23-15)14(24)22-8-3-1-7(2-4-8)12(18)19/h5,7-8,11-12H,1-4,6,20H2,(H2,21,23)(H,22,24)
InChIKeyPFQQDAZZQBAIRA-UHFFFAOYSA-N
MW364.34 g/mol
LogP2.44
Rot. Bonds6

About 5,6-diamino-2-(2,2-difluoroethoxy)-N-[4-(difluoromethyl)cyclohexyl]pyridine-3-carboxamide

5,6-diamino-2-(2,2-difluoroethoxy)-N-[4-(difluoromethyl)cyclohexyl]pyridine-3-carboxamide (PubChem CID 88864262) has the molecular formula C15H20F4N4O2 and a molecular weight of 364.34 g/mol. Its IUPAC name is 5,6-diamino-2-(2,2-difluoroethoxy)-N-[4-(difluoromethyl)cyclohexyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-diamino-2-(2,2-difluoroethoxy)-N-[4-(difluoromethyl)cyclohexyl]pyridine-3-carboxamide
PubChem CID88864262
Molecular FormulaC15H20F4N4O2
Molecular Weight364.34 g/mol
Exact Mass364.15
IUPAC Name5,6-diamino-2-(2,2-difluoroethoxy)-N-[4-(difluoromethyl)cyclohexyl]pyridine-3-carboxamide
SMILESNc1cc(C(=O)NC2CCC(C(F)F)CC2)c(OCC(F)F)nc1N
InChIInChI=1S/C15H20F4N4O2/c16-11(17)6-25-15-9(5-10(20)13(21)23-15)14(24)22-8-3-1-7(2-4-8)12(18)19/h5,7-8,11-12H,1-4,6,20H2,(H2,21,23)(H,22,24)
InChIKeyPFQQDAZZQBAIRA-UHFFFAOYSA-N
XLogP2.44
TPSA103.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.34
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-diamino-2-(2,2-difluoroethoxy)-N-[4-(difluoromethyl)cyclohexyl]pyridine-3-carboxamide?
The IUPAC name of 5,6-diamino-2-(2,2-difluoroethoxy)-N-[4-(difluoromethyl)cyclohexyl]pyridine-3-carboxamide (CID 88864262) is 5,6-diamino-2-(2,2-difluoroethoxy)-N-[4-(difluoromethyl)cyclohexyl]pyridine-3-carboxamide.
What is the SMILES notation for 5,6-diamino-2-(2,2-difluoroethoxy)-N-[4-(difluoromethyl)cyclohexyl]pyridine-3-carboxamide?
The canonical SMILES for 5,6-diamino-2-(2,2-difluoroethoxy)-N-[4-(difluoromethyl)cyclohexyl]pyridine-3-carboxamide is Nc1cc(C(=O)NC2CCC(C(F)F)CC2)c(OCC(F)F)nc1N.
What is the InChIKey of 5,6-diamino-2-(2,2-difluoroethoxy)-N-[4-(difluoromethyl)cyclohexyl]pyridine-3-carboxamide?
The InChIKey is PFQQDAZZQBAIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F4N4O2/c16-11(17)6-25-15-9(5-10(20)13(21)23-15)14(24)22-8-3-1-7(2-4-8)12(18)19/h5,7-8,11-12H,1-4,6,20H2,(H2,21,23)(H,22,24).
What are the key properties of 5,6-diamino-2-(2,2-difluoroethoxy)-N-[4-(difluoromethyl)cyclohexyl]pyridine-3-carboxamide?
5,6-diamino-2-(2,2-difluoroethoxy)-N-[4-(difluoromethyl)cyclohexyl]pyridine-3-carboxamide has a molecular weight of 364.34 g/mol, XLogP of 2.44, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diamino-2-(2,2-difluoroethoxy)-N-[4-(difluoromethyl)cyclohexyl]pyridine-3-carboxamide is sourced from PubChem (CID 88864262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).