5-chloro-N-(2,2-difluoroethyl)-6-(ethylamino)-N-(2-hydroxyethyl)pyridine-3-carboxamide

C12H16ClF2N3O2 — CID 107485988

IUPAC5-chloro-N-(2,2-difluoroethyl)-6-(ethylamino)-N-(2-hydroxyethyl)pyridine-3-carboxamide
SMILESCCNc1ncc(C(=O)N(CCO)CC(F)F)cc1Cl
InChIInChI=1S/C12H16ClF2N3O2/c1-2-16-11-9(13)5-8(6-17-11)12(20)18(3-4-19)7-10(14)15/h5-6,10,19H,2-4,7H2,1H3,(H,16,17)
InChIKeyJTPJVTIIIGYGIB-UHFFFAOYSA-N
MW307.73 g/mol
LogP1.87
Rot. Bonds7

About 5-chloro-N-(2,2-difluoroethyl)-6-(ethylamino)-N-(2-hydroxyethyl)pyridine-3-carboxamide

5-chloro-N-(2,2-difluoroethyl)-6-(ethylamino)-N-(2-hydroxyethyl)pyridine-3-carboxamide (PubChem CID 107485988) has the molecular formula C12H16ClF2N3O2 and a molecular weight of 307.73 g/mol. Its IUPAC name is 5-chloro-N-(2,2-difluoroethyl)-6-(ethylamino)-N-(2-hydroxyethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2,2-difluoroethyl)-6-(ethylamino)-N-(2-hydroxyethyl)pyridine-3-carboxamide
PubChem CID107485988
Molecular FormulaC12H16ClF2N3O2
Molecular Weight307.73 g/mol
Exact Mass307.09
IUPAC Name5-chloro-N-(2,2-difluoroethyl)-6-(ethylamino)-N-(2-hydroxyethyl)pyridine-3-carboxamide
SMILESCCNc1ncc(C(=O)N(CCO)CC(F)F)cc1Cl
InChIInChI=1S/C12H16ClF2N3O2/c1-2-16-11-9(13)5-8(6-17-11)12(20)18(3-4-19)7-10(14)15/h5-6,10,19H,2-4,7H2,1H3,(H,16,17)
InChIKeyJTPJVTIIIGYGIB-UHFFFAOYSA-N
XLogP1.87
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.73
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2,2-difluoroethyl)-6-(ethylamino)-N-(2-hydroxyethyl)pyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-(2,2-difluoroethyl)-6-(ethylamino)-N-(2-hydroxyethyl)pyridine-3-carboxamide (CID 107485988) is 5-chloro-N-(2,2-difluoroethyl)-6-(ethylamino)-N-(2-hydroxyethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-(2,2-difluoroethyl)-6-(ethylamino)-N-(2-hydroxyethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-(2,2-difluoroethyl)-6-(ethylamino)-N-(2-hydroxyethyl)pyridine-3-carboxamide is CCNc1ncc(C(=O)N(CCO)CC(F)F)cc1Cl.
What is the InChIKey of 5-chloro-N-(2,2-difluoroethyl)-6-(ethylamino)-N-(2-hydroxyethyl)pyridine-3-carboxamide?
The InChIKey is JTPJVTIIIGYGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClF2N3O2/c1-2-16-11-9(13)5-8(6-17-11)12(20)18(3-4-19)7-10(14)15/h5-6,10,19H,2-4,7H2,1H3,(H,16,17).
What are the key properties of 5-chloro-N-(2,2-difluoroethyl)-6-(ethylamino)-N-(2-hydroxyethyl)pyridine-3-carboxamide?
5-chloro-N-(2,2-difluoroethyl)-6-(ethylamino)-N-(2-hydroxyethyl)pyridine-3-carboxamide has a molecular weight of 307.73 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2,2-difluoroethyl)-6-(ethylamino)-N-(2-hydroxyethyl)pyridine-3-carboxamide is sourced from PubChem (CID 107485988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).