3-chloro-N-ethyl-6-(ethylamino)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide

C12H15ClF3N3O — CID 62179575

IUPAC3-chloro-N-ethyl-6-(ethylamino)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
SMILESCCNc1ccc(Cl)c(C(=O)N(CC)CC(F)(F)F)n1
InChIInChI=1S/C12H15ClF3N3O/c1-3-17-9-6-5-8(13)10(18-9)11(20)19(4-2)7-12(14,15)16/h5-6H,3-4,7H2,1-2H3,(H,17,18)
InChIKeyZQJHBFBWDNZKAH-UHFFFAOYSA-N
MW309.72 g/mol
LogP3.19
Rot. Bonds5

About 3-chloro-N-ethyl-6-(ethylamino)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide

3-chloro-N-ethyl-6-(ethylamino)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide (PubChem CID 62179575) has the molecular formula C12H15ClF3N3O and a molecular weight of 309.72 g/mol. Its IUPAC name is 3-chloro-N-ethyl-6-(ethylamino)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-ethyl-6-(ethylamino)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
PubChem CID62179575
Molecular FormulaC12H15ClF3N3O
Molecular Weight309.72 g/mol
Exact Mass309.09
IUPAC Name3-chloro-N-ethyl-6-(ethylamino)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
SMILESCCNc1ccc(Cl)c(C(=O)N(CC)CC(F)(F)F)n1
InChIInChI=1S/C12H15ClF3N3O/c1-3-17-9-6-5-8(13)10(18-9)11(20)19(4-2)7-12(14,15)16/h5-6H,3-4,7H2,1-2H3,(H,17,18)
InChIKeyZQJHBFBWDNZKAH-UHFFFAOYSA-N
XLogP3.19
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.72
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-6-(ethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 107486136
3-chloro-N-ethyl-6-(ethylamino)-N-(2-methylbutyl)pyridine-2-carboxamide
CID 79469760
3-chloro-N-(cyclopropylmethyl)-N-ethyl-6-(ethylamino)pyridine-2-carboxamide
CID 63940498
3-chloro-N-(cyclobutylmethyl)-N-ethyl-6-(ethylamino)pyridine-2-carboxamide
CID 107401299
3-chloro-N,N-diethyl-6-(methylamino)pyridine-2-carboxamide
CID 62173042
3-chloro-6-(ethylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-2-carboxamide
CID 106432994
N-ethyl-6-(ethylamino)-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
CID 62179220
3-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-6-(ethylamino)pyridine-2-carboxamide
CID 103191078
3-chloro-6-(ethylamino)-N-propan-2-yl-N-propylpyridine-2-carboxamide
CID 62169311
3-chloro-N-ethyl-6-(ethylamino)-N-(1-methoxypropan-2-yl)pyridine-2-carboxamide
CID 62179595
3-chloro-N-(2,2-dimethylpropyl)-6-hydrazinyl-N-methylpyridine-2-carboxamide
CID 62243844
3-chloro-N-(2-ethoxyethyl)-6-(ethylamino)-N-methylpyridine-2-carboxamide
CID 81074655

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-ethyl-6-(ethylamino)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
The IUPAC name of 3-chloro-N-ethyl-6-(ethylamino)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide (CID 62179575) is 3-chloro-N-ethyl-6-(ethylamino)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-ethyl-6-(ethylamino)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-N-ethyl-6-(ethylamino)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide is CCNc1ccc(Cl)c(C(=O)N(CC)CC(F)(F)F)n1.
What is the InChIKey of 3-chloro-N-ethyl-6-(ethylamino)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
The InChIKey is ZQJHBFBWDNZKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClF3N3O/c1-3-17-9-6-5-8(13)10(18-9)11(20)19(4-2)7-12(14,15)16/h5-6H,3-4,7H2,1-2H3,(H,17,18).
What are the key properties of 3-chloro-N-ethyl-6-(ethylamino)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
3-chloro-N-ethyl-6-(ethylamino)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide has a molecular weight of 309.72 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-ethyl-6-(ethylamino)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide is sourced from PubChem (CID 62179575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).