N-[4-[[(2E,3Z)-2,3-bis(prop-2-enylidene)-4-pyridinyl]amino]-2,4-dimethylpentan-2-yl]-2,2,2-trifluoroacetamide

C20H26F3N3O — CID 155109547

IUPACN-[4-[[(2E,3Z)-2,3-bis(prop-2-enylidene)-4-pyridinyl]amino]-2,4-dimethylpentan-2-yl]-2,2,2-trifluoroacetamide
SMILESC=C/C=c1/c(NC(C)(C)CC(C)(C)NC(=O)C(F)(F)F)ccn/c1=C/C=C
InChIInChI=1S/C20H26F3N3O/c1-7-9-14-15(10-8-2)24-12-11-16(14)25-18(3,4)13-19(5,6)26-17(27)20(21,22)23/h7-12,25H,1-2,13H2,3-6H3,(H,26,27)/b14-9+,15-10+
InChIKeyOHNMRRUIUJMKLU-AOEKMSOUSA-N
MW381.44 g/mol
LogP3.05
Rot. Bonds7

About N-[4-[[(2E,3Z)-2,3-bis(prop-2-enylidene)-4-pyridinyl]amino]-2,4-dimethylpentan-2-yl]-2,2,2-trifluoroacetamide

N-[4-[[(2E,3Z)-2,3-bis(prop-2-enylidene)-4-pyridinyl]amino]-2,4-dimethylpentan-2-yl]-2,2,2-trifluoroacetamide (PubChem CID 155109547) has the molecular formula C20H26F3N3O and a molecular weight of 381.44 g/mol. Its IUPAC name is N-[4-[[(2E,3Z)-2,3-bis(prop-2-enylidene)-4-pyridinyl]amino]-2,4-dimethylpentan-2-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[4-[[(2E,3Z)-2,3-bis(prop-2-enylidene)-4-pyridinyl]amino]-2,4-dimethylpentan-2-yl]-2,2,2-trifluoroacetamide
PubChem CID155109547
Molecular FormulaC20H26F3N3O
Molecular Weight381.44 g/mol
Exact Mass381.20
IUPAC NameN-[4-[[(2E,3Z)-2,3-bis(prop-2-enylidene)-4-pyridinyl]amino]-2,4-dimethylpentan-2-yl]-2,2,2-trifluoroacetamide
SMILESC=C/C=c1/c(NC(C)(C)CC(C)(C)NC(=O)C(F)(F)F)ccn/c1=C/C=C
InChIInChI=1S/C20H26F3N3O/c1-7-9-14-15(10-8-2)24-12-11-16(14)25-18(3,4)13-19(5,6)26-17(27)20(21,22)23/h7-12,25H,1-2,13H2,3-6H3,(H,26,27)/b14-9+,15-10+
InChIKeyOHNMRRUIUJMKLU-AOEKMSOUSA-N
XLogP3.05
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2E,3Z)-2,3-bis(prop-2-enylidene)-4-pyridinyl]amino]-2,4-dimethylpentan-2-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[4-[[(2E,3Z)-2,3-bis(prop-2-enylidene)-4-pyridinyl]amino]-2,4-dimethylpentan-2-yl]-2,2,2-trifluoroacetamide (CID 155109547) is N-[4-[[(2E,3Z)-2,3-bis(prop-2-enylidene)-4-pyridinyl]amino]-2,4-dimethylpentan-2-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[4-[[(2E,3Z)-2,3-bis(prop-2-enylidene)-4-pyridinyl]amino]-2,4-dimethylpentan-2-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[4-[[(2E,3Z)-2,3-bis(prop-2-enylidene)-4-pyridinyl]amino]-2,4-dimethylpentan-2-yl]-2,2,2-trifluoroacetamide is C=C/C=c1/c(NC(C)(C)CC(C)(C)NC(=O)C(F)(F)F)ccn/c1=C/C=C.
What is the InChIKey of N-[4-[[(2E,3Z)-2,3-bis(prop-2-enylidene)-4-pyridinyl]amino]-2,4-dimethylpentan-2-yl]-2,2,2-trifluoroacetamide?
The InChIKey is OHNMRRUIUJMKLU-AOEKMSOUSA-N. The full InChI is InChI=1S/C20H26F3N3O/c1-7-9-14-15(10-8-2)24-12-11-16(14)25-18(3,4)13-19(5,6)26-17(27)20(21,22)23/h7-12,25H,1-2,13H2,3-6H3,(H,26,27)/b14-9+,15-10+.
What are the key properties of N-[4-[[(2E,3Z)-2,3-bis(prop-2-enylidene)-4-pyridinyl]amino]-2,4-dimethylpentan-2-yl]-2,2,2-trifluoroacetamide?
N-[4-[[(2E,3Z)-2,3-bis(prop-2-enylidene)-4-pyridinyl]amino]-2,4-dimethylpentan-2-yl]-2,2,2-trifluoroacetamide has a molecular weight of 381.44 g/mol, XLogP of 3.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2E,3Z)-2,3-bis(prop-2-enylidene)-4-pyridinyl]amino]-2,4-dimethylpentan-2-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 155109547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).