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

C13H18ClF2N3O2 — CID 107485986

IUPAC3-chloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-6-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1ccc(Cl)c(C(=O)N(CCO)CC(F)F)n1
InChIInChI=1S/C13H18ClF2N3O2/c1-2-5-17-11-4-3-9(14)12(18-11)13(21)19(6-7-20)8-10(15)16/h3-4,10,20H,2,5-8H2,1H3,(H,17,18)
InChIKeyOLOYPVBJUAPMKX-UHFFFAOYSA-N
MW321.76 g/mol
LogP2.26
Rot. Bonds8

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

3-chloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-6-(propylamino)pyridine-2-carboxamide (PubChem CID 107485986) has the molecular formula C13H18ClF2N3O2 and a molecular weight of 321.76 g/mol. Its IUPAC name is 3-chloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-6-(propylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-6-(propylamino)pyridine-2-carboxamide
PubChem CID107485986
Molecular FormulaC13H18ClF2N3O2
Molecular Weight321.76 g/mol
Exact Mass321.11
IUPAC Name3-chloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-6-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1ccc(Cl)c(C(=O)N(CCO)CC(F)F)n1
InChIInChI=1S/C13H18ClF2N3O2/c1-2-5-17-11-4-3-9(14)12(18-11)13(21)19(6-7-20)8-10(15)16/h3-4,10,20H,2,5-8H2,1H3,(H,17,18)
InChIKeyOLOYPVBJUAPMKX-UHFFFAOYSA-N
XLogP2.26
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.76
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-3-chloro-N-(2-hydroxyethyl)-6-(propylamino)pyridine-2-carboxamide
CID 62180165
3-chloro-6-(ethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 107486136
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(propylamino)pyridine-4-carboxamide
CID 107486059
3-chloro-N-(2-methylbutyl)-6-(propylamino)pyridine-2-carboxamide
CID 62691457
3-chloro-N-(1-methoxypropan-2-yl)-N-methyl-6-(propylamino)pyridine-2-carboxamide
CID 62179080
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methyl-2-(propylamino)benzamide
CID 107486049
3-chloro-N-ethyl-N-(1-methoxypropan-2-yl)-6-(propylamino)pyridine-2-carboxamide
CID 62179763
3-chloro-N-(2,2-dimethylpropyl)-6-(propylamino)pyridine-2-carboxamide
CID 55046891
3-chloro-N-pentan-3-yl-6-(propylamino)pyridine-2-carboxamide
CID 62171311
3-chloro-N-[2-oxo-2-(propylamino)ethyl]-6-(propylamino)pyridine-2-carboxamide
CID 62168552
2-[2,2-difluoroethyl-[[6-(propylamino)-2-pyridinyl]methyl]amino]ethanol
CID 107486212
3-chloro-N-ethyl-6-(ethylamino)-N-(2-methylbutyl)pyridine-2-carboxamide
CID 79469760

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-6-(propylamino)pyridine-2-carboxamide?
The IUPAC name of 3-chloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-6-(propylamino)pyridine-2-carboxamide (CID 107485986) is 3-chloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-6-(propylamino)pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-6-(propylamino)pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-6-(propylamino)pyridine-2-carboxamide is CCCNc1ccc(Cl)c(C(=O)N(CCO)CC(F)F)n1.
What is the InChIKey of 3-chloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-6-(propylamino)pyridine-2-carboxamide?
The InChIKey is OLOYPVBJUAPMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClF2N3O2/c1-2-5-17-11-4-3-9(14)12(18-11)13(21)19(6-7-20)8-10(15)16/h3-4,10,20H,2,5-8H2,1H3,(H,17,18).
What are the key properties of 3-chloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-6-(propylamino)pyridine-2-carboxamide?
3-chloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-6-(propylamino)pyridine-2-carboxamide has a molecular weight of 321.76 g/mol, XLogP of 2.26, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-6-(propylamino)pyridine-2-carboxamide is sourced from PubChem (CID 107485986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).