N-(2-amino-4,4,4-trifluorobutyl)-2-(5-chloro-3-ethenyl-2-methylidene-1-pyridinyl)-3-methylbutanamide

C17H23ClF3N3O — CID 134189076

IUPACN-(2-amino-4,4,4-trifluorobutyl)-2-(5-chloro-3-ethenyl-2-methylidene-1-pyridinyl)-3-methylbutanamide
SMILESC=CC1=CC(Cl)=CN(C(C(=O)NCC(N)CC(F)(F)F)C(C)C)C1=C
InChIInChI=1S/C17H23ClF3N3O/c1-5-12-6-13(18)9-24(11(12)4)15(10(2)3)16(25)23-8-14(22)7-17(19,20)21/h5-6,9-10,14-15H,1,4,7-8,22H2,2-3H3,(H,23,25)
InChIKeyJOCMMQSMOKOSQT-UHFFFAOYSA-N
MW377.84 g/mol
LogP3.43
Rot. Bonds7

About N-(2-amino-4,4,4-trifluorobutyl)-2-(5-chloro-3-ethenyl-2-methylidene-1-pyridinyl)-3-methylbutanamide

N-(2-amino-4,4,4-trifluorobutyl)-2-(5-chloro-3-ethenyl-2-methylidene-1-pyridinyl)-3-methylbutanamide (PubChem CID 134189076) has the molecular formula C17H23ClF3N3O and a molecular weight of 377.84 g/mol. Its IUPAC name is N-(2-amino-4,4,4-trifluorobutyl)-2-(5-chloro-3-ethenyl-2-methylidene-1-pyridinyl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(2-amino-4,4,4-trifluorobutyl)-2-(5-chloro-3-ethenyl-2-methylidene-1-pyridinyl)-3-methylbutanamide
PubChem CID134189076
Molecular FormulaC17H23ClF3N3O
Molecular Weight377.84 g/mol
Exact Mass377.15
IUPAC NameN-(2-amino-4,4,4-trifluorobutyl)-2-(5-chloro-3-ethenyl-2-methylidene-1-pyridinyl)-3-methylbutanamide
SMILESC=CC1=CC(Cl)=CN(C(C(=O)NCC(N)CC(F)(F)F)C(C)C)C1=C
InChIInChI=1S/C17H23ClF3N3O/c1-5-12-6-13(18)9-24(11(12)4)15(10(2)3)16(25)23-8-14(22)7-17(19,20)21/h5-6,9-10,14-15H,1,4,7-8,22H2,2-3H3,(H,23,25)
InChIKeyJOCMMQSMOKOSQT-UHFFFAOYSA-N
XLogP3.43
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.84
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,4,4-trifluorobutyl)-2-(5-chloro-3-ethenyl-2-methylidene-1-pyridinyl)-3-methylbutanamide?
The IUPAC name of N-(2-amino-4,4,4-trifluorobutyl)-2-(5-chloro-3-ethenyl-2-methylidene-1-pyridinyl)-3-methylbutanamide (CID 134189076) is N-(2-amino-4,4,4-trifluorobutyl)-2-(5-chloro-3-ethenyl-2-methylidene-1-pyridinyl)-3-methylbutanamide.
What is the SMILES notation for N-(2-amino-4,4,4-trifluorobutyl)-2-(5-chloro-3-ethenyl-2-methylidene-1-pyridinyl)-3-methylbutanamide?
The canonical SMILES for N-(2-amino-4,4,4-trifluorobutyl)-2-(5-chloro-3-ethenyl-2-methylidene-1-pyridinyl)-3-methylbutanamide is C=CC1=CC(Cl)=CN(C(C(=O)NCC(N)CC(F)(F)F)C(C)C)C1=C.
What is the InChIKey of N-(2-amino-4,4,4-trifluorobutyl)-2-(5-chloro-3-ethenyl-2-methylidene-1-pyridinyl)-3-methylbutanamide?
The InChIKey is JOCMMQSMOKOSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClF3N3O/c1-5-12-6-13(18)9-24(11(12)4)15(10(2)3)16(25)23-8-14(22)7-17(19,20)21/h5-6,9-10,14-15H,1,4,7-8,22H2,2-3H3,(H,23,25).
What are the key properties of N-(2-amino-4,4,4-trifluorobutyl)-2-(5-chloro-3-ethenyl-2-methylidene-1-pyridinyl)-3-methylbutanamide?
N-(2-amino-4,4,4-trifluorobutyl)-2-(5-chloro-3-ethenyl-2-methylidene-1-pyridinyl)-3-methylbutanamide has a molecular weight of 377.84 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,4,4-trifluorobutyl)-2-(5-chloro-3-ethenyl-2-methylidene-1-pyridinyl)-3-methylbutanamide is sourced from PubChem (CID 134189076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).