2-[[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]-N-cyclopropylacetamide

C11H12ClF3N3O+ — CID 9025331

IUPAC2-[[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]-N-cyclopropylacetamide
SMILESO=C(CNc1[nH+]cc(C(F)(F)F)cc1Cl)NC1CC1
InChIInChI=1S/C11H11ClF3N3O/c12-8-3-6(11(13,14)15)4-16-10(8)17-5-9(19)18-7-1-2-7/h3-4,7H,1-2,5H2,(H,16,17)(H,18,19)/p+1
InChIKeyLPGFYLRVAHGERY-UHFFFAOYSA-O
MW294.68 g/mol
LogP1.86
Rot. Bonds4

About 2-[[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]-N-cyclopropylacetamide

2-[[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]-N-cyclopropylacetamide (PubChem CID 9025331) has the molecular formula C11H12ClF3N3O+ and a molecular weight of 294.68 g/mol. Its IUPAC name is 2-[[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]-N-cyclopropylacetamide
PubChem CID9025331
Molecular FormulaC11H12ClF3N3O+
Molecular Weight294.68 g/mol
Exact Mass294.06
IUPAC Name2-[[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]-N-cyclopropylacetamide
SMILESO=C(CNc1[nH+]cc(C(F)(F)F)cc1Cl)NC1CC1
InChIInChI=1S/C11H11ClF3N3O/c12-8-3-6(11(13,14)15)4-16-10(8)17-5-9(19)18-7-1-2-7/h3-4,7H,1-2,5H2,(H,16,17)(H,18,19)/p+1
InChIKeyLPGFYLRVAHGERY-UHFFFAOYSA-O
XLogP1.86
TPSA55.27 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.68
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-cyclopropylacetamide
CID 1491758
N-cyclopropyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]acetamide
CID 66329445
2-[2-cyano-4-(trifluoromethyl)anilino]-N-cyclopropylacetamide
CID 43568515
[2-(cyclopropylamino)-2-oxoethyl] 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]acetate
CID 2097178
N-cyclopropyl-2-[2-nitro-4-(trifluoromethyl)anilino]acetamide
CID 43397740
2-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-N-cyclopropylacetamide
CID 4571979
2-[2-[[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethyliminomethyl]phenol
CID 135847612
2-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-N-cyclopropylacetamide
CID 84515951
N-cyclopropyl-2-[(3,5,6-trichloro-2-pyridinyl)amino]acetamide
CID 102750403
N-(1-acetylpiperidin-4-yl)-2-[2-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]acetamide
CID 78821218
2-(4-tert-butylanilino)-N-cyclopropylacetamide
CID 28571999
N-[2-(cyclobutylamino)-2-oxoethyl]-3,5-bis(trifluoromethyl)benzamide
CID 91363286

Frequently Asked Questions

What is the IUPAC name of 2-[[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]-N-cyclopropylacetamide?
The IUPAC name of 2-[[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]-N-cyclopropylacetamide (CID 9025331) is 2-[[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]-N-cyclopropylacetamide is O=C(CNc1[nH+]cc(C(F)(F)F)cc1Cl)NC1CC1.
What is the InChIKey of 2-[[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]-N-cyclopropylacetamide?
The InChIKey is LPGFYLRVAHGERY-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H11ClF3N3O/c12-8-3-6(11(13,14)15)4-16-10(8)17-5-9(19)18-7-1-2-7/h3-4,7H,1-2,5H2,(H,16,17)(H,18,19)/p+1.
What are the key properties of 2-[[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]-N-cyclopropylacetamide?
2-[[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]-N-cyclopropylacetamide has a molecular weight of 294.68 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]-N-cyclopropylacetamide is sourced from PubChem (CID 9025331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).