1-[[[7-methyl-8-oxo-4-[4-(trifluoromethyl)phenyl]-7H-2,6-naphthyridin-1-yl]amino]methyl]cyclopropane-1-carboxamide

C21H19F3N4O2 — CID 170313107

IUPAC1-[[[7-methyl-8-oxo-4-[4-(trifluoromethyl)phenyl]-7H-2,6-naphthyridin-1-yl]amino]methyl]cyclopropane-1-carboxamide
SMILESCC1N=Cc2c(-c3ccc(C(F)(F)F)cc3)cnc(NCC3(C(N)=O)CC3)c2C1=O
InChIInChI=1S/C21H19F3N4O2/c1-11-17(29)16-15(9-26-11)14(12-2-4-13(5-3-12)21(22,23)24)8-27-18(16)28-10-20(6-7-20)19(25)30/h2-5,8-9,11H,6-7,10H2,1H3,(H2,25,30)(H,27,28)
InChIKeyXRYDPNUMWILINF-UHFFFAOYSA-N
MW416.40 g/mol
LogP3.45
Rot. Bonds5

About 1-[[[7-methyl-8-oxo-4-[4-(trifluoromethyl)phenyl]-7H-2,6-naphthyridin-1-yl]amino]methyl]cyclopropane-1-carboxamide

1-[[[7-methyl-8-oxo-4-[4-(trifluoromethyl)phenyl]-7H-2,6-naphthyridin-1-yl]amino]methyl]cyclopropane-1-carboxamide (PubChem CID 170313107) has the molecular formula C21H19F3N4O2 and a molecular weight of 416.40 g/mol. Its IUPAC name is 1-[[[7-methyl-8-oxo-4-[4-(trifluoromethyl)phenyl]-7H-2,6-naphthyridin-1-yl]amino]methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[[[7-methyl-8-oxo-4-[4-(trifluoromethyl)phenyl]-7H-2,6-naphthyridin-1-yl]amino]methyl]cyclopropane-1-carboxamide
PubChem CID170313107
Molecular FormulaC21H19F3N4O2
Molecular Weight416.40 g/mol
Exact Mass416.15
IUPAC Name1-[[[7-methyl-8-oxo-4-[4-(trifluoromethyl)phenyl]-7H-2,6-naphthyridin-1-yl]amino]methyl]cyclopropane-1-carboxamide
SMILESCC1N=Cc2c(-c3ccc(C(F)(F)F)cc3)cnc(NCC3(C(N)=O)CC3)c2C1=O
InChIInChI=1S/C21H19F3N4O2/c1-11-17(29)16-15(9-26-11)14(12-2-4-13(5-3-12)21(22,23)24)8-27-18(16)28-10-20(6-7-20)19(25)30/h2-5,8-9,11H,6-7,10H2,1H3,(H2,25,30)(H,27,28)
InChIKeyXRYDPNUMWILINF-UHFFFAOYSA-N
XLogP3.45
TPSA97.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.40
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[[[7-methyl-8-oxo-4-[4-(trifluoromethyl)phenyl]-7H-2,6-naphthyridin-1-yl]amino]methyl]cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(1,1-dioxothietan-3-yl)amino]-3-methyl-8-[4-(trifluoromethyl)phenyl]-3H-2,6-naphthyridin-4-one
CID 170313446
3-methyl-5-[(3-methyl-2-oxopiperidin-4-yl)amino]-8-[4-(trifluoromethyl)phenyl]-3H-2,6-naphthyridin-4-one
CID 170312942
1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]cyclopropane-1-carboxamide
CID 176896908
1-[[4-(trifluoromethyl)anilino]methyl]cyclopropane-1-carboxylic acid
CID 115450323
N-(2-hydroxyethyl)-2-methyl-2-[4-(trifluoromethyl)phenyl]propanamide
CID 110487743
2-methyl-3-phenyl-2-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]pentanamide
CID 123873391
carbamic acid;N-[[1-(methylsulfonimidoyl)cyclopropyl]methyl]-4-[4-(trifluoromethyl)phenyl]phthalazin-1-amine
CID 170316814
2-[2-fluoro-5-[4-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid
CID 133089726
methyl 2-methoxy-5-[4-(trifluoromethyl)phenyl]pyridine-4-carboxylate
CID 134634404
N-(5-methyl-2-oxooxolan-3-yl)-2-[4-(trifluoromethyl)phenyl]benzamide
CID 154836233
(2S)-2-hydroxy-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanamide
CID 100650710
1-[2-(hydroxymethyl)-5-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-4-one
CID 155808383

Frequently Asked Questions

What is the IUPAC name of 1-[[[7-methyl-8-oxo-4-[4-(trifluoromethyl)phenyl]-7H-2,6-naphthyridin-1-yl]amino]methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-[[[7-methyl-8-oxo-4-[4-(trifluoromethyl)phenyl]-7H-2,6-naphthyridin-1-yl]amino]methyl]cyclopropane-1-carboxamide (CID 170313107) is 1-[[[7-methyl-8-oxo-4-[4-(trifluoromethyl)phenyl]-7H-2,6-naphthyridin-1-yl]amino]methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[[[7-methyl-8-oxo-4-[4-(trifluoromethyl)phenyl]-7H-2,6-naphthyridin-1-yl]amino]methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-[[[7-methyl-8-oxo-4-[4-(trifluoromethyl)phenyl]-7H-2,6-naphthyridin-1-yl]amino]methyl]cyclopropane-1-carboxamide is CC1N=Cc2c(-c3ccc(C(F)(F)F)cc3)cnc(NCC3(C(N)=O)CC3)c2C1=O.
What is the InChIKey of 1-[[[7-methyl-8-oxo-4-[4-(trifluoromethyl)phenyl]-7H-2,6-naphthyridin-1-yl]amino]methyl]cyclopropane-1-carboxamide?
The InChIKey is XRYDPNUMWILINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N4O2/c1-11-17(29)16-15(9-26-11)14(12-2-4-13(5-3-12)21(22,23)24)8-27-18(16)28-10-20(6-7-20)19(25)30/h2-5,8-9,11H,6-7,10H2,1H3,(H2,25,30)(H,27,28).
What are the key properties of 1-[[[7-methyl-8-oxo-4-[4-(trifluoromethyl)phenyl]-7H-2,6-naphthyridin-1-yl]amino]methyl]cyclopropane-1-carboxamide?
1-[[[7-methyl-8-oxo-4-[4-(trifluoromethyl)phenyl]-7H-2,6-naphthyridin-1-yl]amino]methyl]cyclopropane-1-carboxamide has a molecular weight of 416.40 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[7-methyl-8-oxo-4-[4-(trifluoromethyl)phenyl]-7H-2,6-naphthyridin-1-yl]amino]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 170313107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).