N-[2-(hydroxymethyl)-6-methoxy-5-[2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-3-pyridinyl]prop-2-enamide

C19H23F3N2O3 — CID 156741178

IUPACN-[2-(hydroxymethyl)-6-methoxy-5-[2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-3-pyridinyl]prop-2-enamide
SMILESC=CC(=O)Nc1cc(C=CC2CCC(C(F)(F)F)CC2)c(OC)nc1CO
InChIInChI=1S/C19H23F3N2O3/c1-3-17(26)23-15-10-13(18(27-2)24-16(15)11-25)7-4-12-5-8-14(9-6-12)19(20,21)22/h3-4,7,10,12,14,25H,1,5-6,8-9,11H2,2H3,(H,23,26)
InChIKeyMQXFRJWCEAXVEJ-UHFFFAOYSA-N
MW384.40 g/mol
LogP4.09
Rot. Bonds6

About N-[2-(hydroxymethyl)-6-methoxy-5-[2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-3-pyridinyl]prop-2-enamide

N-[2-(hydroxymethyl)-6-methoxy-5-[2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-3-pyridinyl]prop-2-enamide (PubChem CID 156741178) has the molecular formula C19H23F3N2O3 and a molecular weight of 384.40 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)-6-methoxy-5-[2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-3-pyridinyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)-6-methoxy-5-[2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-3-pyridinyl]prop-2-enamide
PubChem CID156741178
Molecular FormulaC19H23F3N2O3
Molecular Weight384.40 g/mol
Exact Mass384.17
IUPAC NameN-[2-(hydroxymethyl)-6-methoxy-5-[2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-3-pyridinyl]prop-2-enamide
SMILESC=CC(=O)Nc1cc(C=CC2CCC(C(F)(F)F)CC2)c(OC)nc1CO
InChIInChI=1S/C19H23F3N2O3/c1-3-17(26)23-15-10-13(18(27-2)24-16(15)11-25)7-4-12-5-8-14(9-6-12)19(20,21)22/h3-4,7,10,12,14,25H,1,5-6,8-9,11H2,2H3,(H,23,26)
InChIKeyMQXFRJWCEAXVEJ-UHFFFAOYSA-N
XLogP4.09
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)-6-methoxy-5-[2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-3-pyridinyl]prop-2-enamide?
The IUPAC name of N-[2-(hydroxymethyl)-6-methoxy-5-[2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-3-pyridinyl]prop-2-enamide (CID 156741178) is N-[2-(hydroxymethyl)-6-methoxy-5-[2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-3-pyridinyl]prop-2-enamide.
What is the SMILES notation for N-[2-(hydroxymethyl)-6-methoxy-5-[2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-3-pyridinyl]prop-2-enamide?
The canonical SMILES for N-[2-(hydroxymethyl)-6-methoxy-5-[2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-3-pyridinyl]prop-2-enamide is C=CC(=O)Nc1cc(C=CC2CCC(C(F)(F)F)CC2)c(OC)nc1CO.
What is the InChIKey of N-[2-(hydroxymethyl)-6-methoxy-5-[2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-3-pyridinyl]prop-2-enamide?
The InChIKey is MQXFRJWCEAXVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N2O3/c1-3-17(26)23-15-10-13(18(27-2)24-16(15)11-25)7-4-12-5-8-14(9-6-12)19(20,21)22/h3-4,7,10,12,14,25H,1,5-6,8-9,11H2,2H3,(H,23,26).
What are the key properties of N-[2-(hydroxymethyl)-6-methoxy-5-[2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-3-pyridinyl]prop-2-enamide?
N-[2-(hydroxymethyl)-6-methoxy-5-[2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-3-pyridinyl]prop-2-enamide has a molecular weight of 384.40 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)-6-methoxy-5-[2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-3-pyridinyl]prop-2-enamide is sourced from PubChem (CID 156741178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).