5,6-diamino-N-(4,4-difluorocyclohexyl)-2-[ethyl(methyl)amino]pyridine-3-carboxamide

C15H23F2N5O — CID 71099574

IUPAC5,6-diamino-N-(4,4-difluorocyclohexyl)-2-[ethyl(methyl)amino]pyridine-3-carboxamide
SMILESCCN(C)c1nc(N)c(N)cc1C(=O)NC1CCC(F)(F)CC1
InChIInChI=1S/C15H23F2N5O/c1-3-22(2)13-10(8-11(18)12(19)21-13)14(23)20-9-4-6-15(16,17)7-5-9/h8-9H,3-7,18H2,1-2H3,(H2,19,21)(H,20,23)
InChIKeyZEZSVBDEJXZEBX-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.01
Rot. Bonds4

About 5,6-diamino-N-(4,4-difluorocyclohexyl)-2-[ethyl(methyl)amino]pyridine-3-carboxamide

5,6-diamino-N-(4,4-difluorocyclohexyl)-2-[ethyl(methyl)amino]pyridine-3-carboxamide (PubChem CID 71099574) has the molecular formula C15H23F2N5O and a molecular weight of 327.38 g/mol. Its IUPAC name is 5,6-diamino-N-(4,4-difluorocyclohexyl)-2-[ethyl(methyl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-diamino-N-(4,4-difluorocyclohexyl)-2-[ethyl(methyl)amino]pyridine-3-carboxamide
PubChem CID71099574
Molecular FormulaC15H23F2N5O
Molecular Weight327.38 g/mol
Exact Mass327.19
IUPAC Name5,6-diamino-N-(4,4-difluorocyclohexyl)-2-[ethyl(methyl)amino]pyridine-3-carboxamide
SMILESCCN(C)c1nc(N)c(N)cc1C(=O)NC1CCC(F)(F)CC1
InChIInChI=1S/C15H23F2N5O/c1-3-22(2)13-10(8-11(18)12(19)21-13)14(23)20-9-4-6-15(16,17)7-5-9/h8-9H,3-7,18H2,1-2H3,(H2,19,21)(H,20,23)
InChIKeyZEZSVBDEJXZEBX-UHFFFAOYSA-N
XLogP2.01
TPSA97.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-diamino-N-(4,4-difluorocyclohexyl)-2-[ethyl(methyl)amino]pyridine-3-carboxamide?
The IUPAC name of 5,6-diamino-N-(4,4-difluorocyclohexyl)-2-[ethyl(methyl)amino]pyridine-3-carboxamide (CID 71099574) is 5,6-diamino-N-(4,4-difluorocyclohexyl)-2-[ethyl(methyl)amino]pyridine-3-carboxamide.
What is the SMILES notation for 5,6-diamino-N-(4,4-difluorocyclohexyl)-2-[ethyl(methyl)amino]pyridine-3-carboxamide?
The canonical SMILES for 5,6-diamino-N-(4,4-difluorocyclohexyl)-2-[ethyl(methyl)amino]pyridine-3-carboxamide is CCN(C)c1nc(N)c(N)cc1C(=O)NC1CCC(F)(F)CC1.
What is the InChIKey of 5,6-diamino-N-(4,4-difluorocyclohexyl)-2-[ethyl(methyl)amino]pyridine-3-carboxamide?
The InChIKey is ZEZSVBDEJXZEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N5O/c1-3-22(2)13-10(8-11(18)12(19)21-13)14(23)20-9-4-6-15(16,17)7-5-9/h8-9H,3-7,18H2,1-2H3,(H2,19,21)(H,20,23).
What are the key properties of 5,6-diamino-N-(4,4-difluorocyclohexyl)-2-[ethyl(methyl)amino]pyridine-3-carboxamide?
5,6-diamino-N-(4,4-difluorocyclohexyl)-2-[ethyl(methyl)amino]pyridine-3-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 2.01, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diamino-N-(4,4-difluorocyclohexyl)-2-[ethyl(methyl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 71099574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).