N-ethyl-2-[formyl(methyl)amino]-N-(pyridin-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]benzamide

C24H22F3N3O3 — CID 146427896

IUPACN-ethyl-2-[formyl(methyl)amino]-N-(pyridin-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]benzamide
SMILESCCN(Cc1ccccn1)C(=O)c1cc(-c2ccc(OC(F)(F)F)cc2)ccc1N(C)C=O
InChIInChI=1S/C24H22F3N3O3/c1-3-30(15-19-6-4-5-13-28-19)23(32)21-14-18(9-12-22(21)29(2)16-31)17-7-10-20(11-8-17)33-24(25,26)27/h4-14,16H,3,15H2,1-2H3
InChIKeyGGUWSGMQOWBARI-UHFFFAOYSA-N
MW457.45 g/mol
LogP4.90
Rot. Bonds8

About N-ethyl-2-[formyl(methyl)amino]-N-(pyridin-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]benzamide

N-ethyl-2-[formyl(methyl)amino]-N-(pyridin-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]benzamide (PubChem CID 146427896) has the molecular formula C24H22F3N3O3 and a molecular weight of 457.45 g/mol. Its IUPAC name is N-ethyl-2-[formyl(methyl)amino]-N-(pyridin-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]benzamide.

Molecular Properties

Compound NameN-ethyl-2-[formyl(methyl)amino]-N-(pyridin-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]benzamide
PubChem CID146427896
Molecular FormulaC24H22F3N3O3
Molecular Weight457.45 g/mol
Exact Mass457.16
IUPAC NameN-ethyl-2-[formyl(methyl)amino]-N-(pyridin-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]benzamide
SMILESCCN(Cc1ccccn1)C(=O)c1cc(-c2ccc(OC(F)(F)F)cc2)ccc1N(C)C=O
InChIInChI=1S/C24H22F3N3O3/c1-3-30(15-19-6-4-5-13-28-19)23(32)21-14-18(9-12-22(21)29(2)16-31)17-7-10-20(11-8-17)33-24(25,26)27/h4-14,16H,3,15H2,1-2H3
InChIKeyGGUWSGMQOWBARI-UHFFFAOYSA-N
XLogP4.90
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.45
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-fluoro-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 114037745
N-ethyl-2-hydroxy-4-nitro-N-(pyridin-2-ylmethyl)benzamide
CID 75504350
N-ethyl-2-iodo-3-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 103741244
3-amino-N-ethyl-5-methoxy-N-(pyridin-2-ylmethyl)benzamide
CID 81094441
2-amino-N-[(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]benzohydrazide
CID 134219135
N-ethyl-3-methyl-N-(pyridin-2-ylmethyl)-2-sulfanylbutanamide
CID 107032618
2-bromo-N-ethyl-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide
CID 103755974
2-hydroxy-4-methoxy-N-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 43565722
3-amino-N-ethyl-N-(pyridin-2-ylmethyl)propanamide
CID 39241658
N,N-dibenzyl-2-[4-(trifluoromethoxy)phenyl]benzamide
CID 10238595
5-amino-N-ethyl-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 81316352
N-ethyl-N-(pyridin-2-ylmethyl)-3-sulfanylpropanamide
CID 107032625

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[formyl(methyl)amino]-N-(pyridin-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]benzamide?
The IUPAC name of N-ethyl-2-[formyl(methyl)amino]-N-(pyridin-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]benzamide (CID 146427896) is N-ethyl-2-[formyl(methyl)amino]-N-(pyridin-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]benzamide.
What is the SMILES notation for N-ethyl-2-[formyl(methyl)amino]-N-(pyridin-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]benzamide?
The canonical SMILES for N-ethyl-2-[formyl(methyl)amino]-N-(pyridin-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]benzamide is CCN(Cc1ccccn1)C(=O)c1cc(-c2ccc(OC(F)(F)F)cc2)ccc1N(C)C=O.
What is the InChIKey of N-ethyl-2-[formyl(methyl)amino]-N-(pyridin-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]benzamide?
The InChIKey is GGUWSGMQOWBARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N3O3/c1-3-30(15-19-6-4-5-13-28-19)23(32)21-14-18(9-12-22(21)29(2)16-31)17-7-10-20(11-8-17)33-24(25,26)27/h4-14,16H,3,15H2,1-2H3.
What are the key properties of N-ethyl-2-[formyl(methyl)amino]-N-(pyridin-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]benzamide?
N-ethyl-2-[formyl(methyl)amino]-N-(pyridin-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]benzamide has a molecular weight of 457.45 g/mol, XLogP of 4.90, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[formyl(methyl)amino]-N-(pyridin-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]benzamide is sourced from PubChem (CID 146427896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).