N-[[8-[4-(trifluoromethyl)phenoxy]-1,5-naphthyridin-4-yl]methyl]prop-2-enamide

C19H14F3N3O2 — CID 162491690

IUPACN-[[8-[4-(trifluoromethyl)phenoxy]-1,5-naphthyridin-4-yl]methyl]prop-2-enamide
SMILESC=CC(=O)NCc1ccnc2c(Oc3ccc(C(F)(F)F)cc3)ccnc12
InChIInChI=1S/C19H14F3N3O2/c1-2-16(26)25-11-12-7-9-24-18-15(8-10-23-17(12)18)27-14-5-3-13(4-6-14)19(20,21)22/h2-10H,1,11H2,(H,25,26)
InChIKeyCOQBJAZWILKXDQ-UHFFFAOYSA-N
MW373.33 g/mol
LogP4.24
Rot. Bonds5

About N-[[8-[4-(trifluoromethyl)phenoxy]-1,5-naphthyridin-4-yl]methyl]prop-2-enamide

N-[[8-[4-(trifluoromethyl)phenoxy]-1,5-naphthyridin-4-yl]methyl]prop-2-enamide (PubChem CID 162491690) has the molecular formula C19H14F3N3O2 and a molecular weight of 373.33 g/mol. Its IUPAC name is N-[[8-[4-(trifluoromethyl)phenoxy]-1,5-naphthyridin-4-yl]methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[[8-[4-(trifluoromethyl)phenoxy]-1,5-naphthyridin-4-yl]methyl]prop-2-enamide
PubChem CID162491690
Molecular FormulaC19H14F3N3O2
Molecular Weight373.33 g/mol
Exact Mass373.10
IUPAC NameN-[[8-[4-(trifluoromethyl)phenoxy]-1,5-naphthyridin-4-yl]methyl]prop-2-enamide
SMILESC=CC(=O)NCc1ccnc2c(Oc3ccc(C(F)(F)F)cc3)ccnc12
InChIInChI=1S/C19H14F3N3O2/c1-2-16(26)25-11-12-7-9-24-18-15(8-10-23-17(12)18)27-14-5-3-13(4-6-14)19(20,21)22/h2-10H,1,11H2,(H,25,26)
InChIKeyCOQBJAZWILKXDQ-UHFFFAOYSA-N
XLogP4.24
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.33
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(3-methylpyrazin-2-yl)phenyl]-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyridin-2-yl]ethyl]acetamide
CID 42609962
1-[2-[4-[[(E)-3-(2,5-difluorophenyl)prop-2-enyl]amino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one
CID 91800611
6-pyridin-3-yl-5-[4-(quinolin-2-ylmethoxy)phenyl]-1H-pyridin-2-one
CID 122196393
5-[4-(1,5-naphthyridin-2-ylmethoxy)phenyl]-6-phenyl-1H-pyridin-2-one
CID 122196396
6-(4-fluorophenyl)-5-[4-(1,5-naphthyridin-2-ylmethoxy)phenyl]-1H-pyridin-2-one
CID 122196397
5-pyridin-4-yl-6-[4-(quinolin-2-ylmethoxy)phenyl]-1H-pyridin-2-one
CID 122196412
1-[(3S)-3-[[6-(6-methoxy-3-pyridinyl)-1,5-naphthyridin-4-yl]oxy]pyrrolidin-1-yl]propan-1-one
CID 134152988
7-[(3-Fluorophenyl)methoxy]-1,5-naphthyridine-3-carboxamide
CID 86296469
7-[(3,4-Difluorophenyl)methoxy]-1,5-naphthyridine-3-carboxamide
CID 86296470
7-[(4-Fluorophenyl)methoxy]-1,5-naphthyridine-3-carboxamide
CID 86296471
2-(7-((3,4-Difluorobenzyl)oxy)-1,5-naphthyridin-3-yl)acetamide
CID 86296849
2-[7-[[6-(Trifluoromethyl)pyridin-2-yl]methoxy]-1,5-naphthyridin-3-yl]acetamide
CID 86296851

Frequently Asked Questions

What is the IUPAC name of N-[[8-[4-(trifluoromethyl)phenoxy]-1,5-naphthyridin-4-yl]methyl]prop-2-enamide?
The IUPAC name of N-[[8-[4-(trifluoromethyl)phenoxy]-1,5-naphthyridin-4-yl]methyl]prop-2-enamide (CID 162491690) is N-[[8-[4-(trifluoromethyl)phenoxy]-1,5-naphthyridin-4-yl]methyl]prop-2-enamide.
What is the SMILES notation for N-[[8-[4-(trifluoromethyl)phenoxy]-1,5-naphthyridin-4-yl]methyl]prop-2-enamide?
The canonical SMILES for N-[[8-[4-(trifluoromethyl)phenoxy]-1,5-naphthyridin-4-yl]methyl]prop-2-enamide is C=CC(=O)NCc1ccnc2c(Oc3ccc(C(F)(F)F)cc3)ccnc12.
What is the InChIKey of N-[[8-[4-(trifluoromethyl)phenoxy]-1,5-naphthyridin-4-yl]methyl]prop-2-enamide?
The InChIKey is COQBJAZWILKXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3O2/c1-2-16(26)25-11-12-7-9-24-18-15(8-10-23-17(12)18)27-14-5-3-13(4-6-14)19(20,21)22/h2-10H,1,11H2,(H,25,26).
What are the key properties of N-[[8-[4-(trifluoromethyl)phenoxy]-1,5-naphthyridin-4-yl]methyl]prop-2-enamide?
N-[[8-[4-(trifluoromethyl)phenoxy]-1,5-naphthyridin-4-yl]methyl]prop-2-enamide has a molecular weight of 373.33 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[8-[4-(trifluoromethyl)phenoxy]-1,5-naphthyridin-4-yl]methyl]prop-2-enamide is sourced from PubChem (CID 162491690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).