N-(cyclopropylmethyl)-3-ethyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide

C14H17F3N2O — CID 86789424

IUPACN-(cyclopropylmethyl)-3-ethyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
SMILESCCc1cnccc1C(=O)N(CC1CC1)CC(F)(F)F
InChIInChI=1S/C14H17F3N2O/c1-2-11-7-18-6-5-12(11)13(20)19(8-10-3-4-10)9-14(15,16)17/h5-7,10H,2-4,8-9H2,1H3
InChIKeyVEZSENXBGWSLDQ-UHFFFAOYSA-N
MW286.30 g/mol
LogP3.06
Rot. Bonds5

About N-(cyclopropylmethyl)-3-ethyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide

N-(cyclopropylmethyl)-3-ethyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide (PubChem CID 86789424) has the molecular formula C14H17F3N2O and a molecular weight of 286.30 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-ethyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3-ethyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
PubChem CID86789424
Molecular FormulaC14H17F3N2O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC NameN-(cyclopropylmethyl)-3-ethyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
SMILESCCc1cnccc1C(=O)N(CC1CC1)CC(F)(F)F
InChIInChI=1S/C14H17F3N2O/c1-2-11-7-18-6-5-12(11)13(20)19(8-10-3-4-10)9-14(15,16)17/h5-7,10H,2-4,8-9H2,1H3
InChIKeyVEZSENXBGWSLDQ-UHFFFAOYSA-N
XLogP3.06
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 105068933
N-ethyl-3-hydrazinyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 105071681
N-(cyclopropylmethyl)-N-ethyl-3-(methylamino)pyridine-4-carboxamide
CID 105070225
4-[cyclopropylmethyl(ethyl)carbamoyl]pyridine-3-carboxylic acid
CID 114244404
N,N-bis(cyclopropylmethyl)-3-hydroxypyridine-4-carboxamide
CID 81443103
3-chloro-N-(cyclopropylmethyl)-N-propylpyridine-4-carboxamide
CID 66482927
N-butyl-3-fluoro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 113240838
N-(2-hydroxyethyl)-3-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 107486117
N-(cyclopropylmethyl)-4-(ethylamino)-N-propylpyridine-3-carboxamide
CID 81242615
N-(cyclobutylmethyl)-N-ethyl-3-hydrazinylpyridine-4-carboxamide
CID 107401447
3-(3-aminoprop-1-ynyl)-N-(cyclopropylmethyl)-N-ethylpyridine-4-carboxamide
CID 66472049
1-(3-ethyl-4-pyridinyl)ethanone
CID 14863277

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3-ethyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-3-ethyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide (CID 86789424) is N-(cyclopropylmethyl)-3-ethyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-3-ethyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-3-ethyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide is CCc1cnccc1C(=O)N(CC1CC1)CC(F)(F)F.
What is the InChIKey of N-(cyclopropylmethyl)-3-ethyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide?
The InChIKey is VEZSENXBGWSLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O/c1-2-11-7-18-6-5-12(11)13(20)19(8-10-3-4-10)9-14(15,16)17/h5-7,10H,2-4,8-9H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-3-ethyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide?
N-(cyclopropylmethyl)-3-ethyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide has a molecular weight of 286.30 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3-ethyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide is sourced from PubChem (CID 86789424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).