2-[[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide

C22H22F3N5O — CID 66632361

IUPAC2-[[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide
SMILESCN1CCN(c2ccc(Cc3nc4ncccc4cc3C(N)=O)cc2C(F)(F)F)CC1
InChIInChI=1S/C22H22F3N5O/c1-29-7-9-30(10-8-29)19-5-4-14(11-17(19)22(23,24)25)12-18-16(20(26)31)13-15-3-2-6-27-21(15)28-18/h2-6,11,13H,7-10,12H2,1H3,(H2,26,31)
InChIKeyZMHORVMFSXNABO-UHFFFAOYSA-N
MW429.45 g/mol
LogP3.09
Rot. Bonds4

About 2-[[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide

2-[[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide (PubChem CID 66632361) has the molecular formula C22H22F3N5O and a molecular weight of 429.45 g/mol. Its IUPAC name is 2-[[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name2-[[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide
PubChem CID66632361
Molecular FormulaC22H22F3N5O
Molecular Weight429.45 g/mol
Exact Mass429.18
IUPAC Name2-[[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide
SMILESCN1CCN(c2ccc(Cc3nc4ncccc4cc3C(N)=O)cc2C(F)(F)F)CC1
InChIInChI=1S/C22H22F3N5O/c1-29-7-9-30(10-8-29)19-5-4-14(11-17(19)22(23,24)25)12-18-16(20(26)31)13-15-3-2-6-27-21(15)28-18/h2-6,11,13H,7-10,12H2,1H3,(H2,26,31)
InChIKeyZMHORVMFSXNABO-UHFFFAOYSA-N
XLogP3.09
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.45
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(bromomethyl)-2-(trifluoromethyl)phenyl]-4-methylpiperazine
CID 107078953
4-(4-methylpiperazin-1-yl)-N-quinolin-8-yl-3-(trifluoromethyl)benzamide
CID 171512798
[(1S)-1-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]ethyl] 2-methyl-1,8-naphthyridine-3-carboxylate
CID 66633784
4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)benzoyl chloride
CID 154686719
ethyl 2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate
CID 2782648
tert-butyl 4-[4-(aminomethyl)-2-(trifluoromethyl)phenyl]piperazine-1-carboxylate
CID 166604259
2-[(3,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide
CID 66964231
[4-(4-ethylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]methanamine
CID 79016220
7-piperidin-1-ylquinoline-6-carboxamide;hydrochloride
CID 174674296
5-methyl-2-[2-(trifluoromethyl)-1,8-naphthyridine-3-carbonyl]cyclohexane-1,3-dione
CID 141247172
2-(methylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide
CID 46908391
5-chloro-6-ethyl-3-[3-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)anilino]pyrazine-2-carboxamide
CID 88571970

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 2-[[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide (CID 66632361) is 2-[[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 2-[[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 2-[[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide is CN1CCN(c2ccc(Cc3nc4ncccc4cc3C(N)=O)cc2C(F)(F)F)CC1.
What is the InChIKey of 2-[[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide?
The InChIKey is ZMHORVMFSXNABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N5O/c1-29-7-9-30(10-8-29)19-5-4-14(11-17(19)22(23,24)25)12-18-16(20(26)31)13-15-3-2-6-27-21(15)28-18/h2-6,11,13H,7-10,12H2,1H3,(H2,26,31).
What are the key properties of 2-[[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide?
2-[[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide has a molecular weight of 429.45 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 66632361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).