N-[1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-chloro-6-morpholin-4-yl-1,8-naphthyridin-4-amine

C21H21ClF3N5O — CID 176726194

IUPACN-[1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-chloro-6-morpholin-4-yl-1,8-naphthyridin-4-amine
SMILESCC(Nc1cc(Cl)nc2ncc(N3CCOCC3)cc12)c1cc(N)cc(C(F)(F)F)c1
InChIInChI=1S/C21H21ClF3N5O/c1-12(13-6-14(21(23,24)25)8-15(26)7-13)28-18-10-19(22)29-20-17(18)9-16(11-27-20)30-2-4-31-5-3-30/h6-12H,2-5,26H2,1H3,(H,27,28,29)
InChIKeyOJLXAXXNGJNLHL-UHFFFAOYSA-N
MW451.88 g/mol
LogP4.89
Rot. Bonds4

About N-[1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-chloro-6-morpholin-4-yl-1,8-naphthyridin-4-amine

N-[1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-chloro-6-morpholin-4-yl-1,8-naphthyridin-4-amine (PubChem CID 176726194) has the molecular formula C21H21ClF3N5O and a molecular weight of 451.88 g/mol. Its IUPAC name is N-[1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-chloro-6-morpholin-4-yl-1,8-naphthyridin-4-amine.

Molecular Properties

Compound NameN-[1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-chloro-6-morpholin-4-yl-1,8-naphthyridin-4-amine
PubChem CID176726194
Molecular FormulaC21H21ClF3N5O
Molecular Weight451.88 g/mol
Exact Mass451.14
IUPAC NameN-[1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-chloro-6-morpholin-4-yl-1,8-naphthyridin-4-amine
SMILESCC(Nc1cc(Cl)nc2ncc(N3CCOCC3)cc12)c1cc(N)cc(C(F)(F)F)c1
InChIInChI=1S/C21H21ClF3N5O/c1-12(13-6-14(21(23,24)25)8-15(26)7-13)28-18-10-19(22)29-20-17(18)9-16(11-27-20)30-2-4-31-5-3-30/h6-12H,2-5,26H2,1H3,(H,27,28,29)
InChIKeyOJLXAXXNGJNLHL-UHFFFAOYSA-N
XLogP4.89
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.88
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-N-[1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-N-methyl-6-morpholin-4-ylquinazoline-2,4-diamine
CID 176726195
N-[1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-3-(4-ethylpiperazin-1-yl)-1,7-naphthyridin-5-amine
CID 176726167
4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-6-morpholin-4-yl-2H-phthalazin-1-one
CID 172782325
N-[1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine
CID 176710261
N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-(3,6-dihydro-2H-pyran-4-yl)-2-methylpyrido[2,3-d]pyrimidin-4-amine
CID 162516070
[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-2-iodo-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-morpholin-4-ylmethanone
CID 155687163
[4-[1-[3-amino-5-(trifluoromethyl)phenyl]ethylamino]-2-chloro-5H-pyrrolo[3,2-d]pyrimidin-6-yl]-morpholin-4-ylmethanone
CID 175179977
N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-dimethylphosphoryl-2-methylpyrido[2,3-d]pyrimidin-4-amine
CID 164897555
N-[1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-chloro-6-(4-cyclopropylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-amine
CID 176726101
4-N-[1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-(4-fluoropiperidin-1-yl)-2-N-methylpyrido[3,4-d]pyrimidine-2,4-diamine
CID 176726100
N-[1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-(azetidin-1-yl)-6-pyrrolidin-1-ylpyrido[3,4-d]pyrimidin-4-amine
CID 176726156
[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-6-(cyclopentylamino)-2-methylquinazolin-7-yl]-morpholin-4-ylmethanone
CID 164550390

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-chloro-6-morpholin-4-yl-1,8-naphthyridin-4-amine?
The IUPAC name of N-[1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-chloro-6-morpholin-4-yl-1,8-naphthyridin-4-amine (CID 176726194) is N-[1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-chloro-6-morpholin-4-yl-1,8-naphthyridin-4-amine.
What is the SMILES notation for N-[1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-chloro-6-morpholin-4-yl-1,8-naphthyridin-4-amine?
The canonical SMILES for N-[1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-chloro-6-morpholin-4-yl-1,8-naphthyridin-4-amine is CC(Nc1cc(Cl)nc2ncc(N3CCOCC3)cc12)c1cc(N)cc(C(F)(F)F)c1.
What is the InChIKey of N-[1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-chloro-6-morpholin-4-yl-1,8-naphthyridin-4-amine?
The InChIKey is OJLXAXXNGJNLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClF3N5O/c1-12(13-6-14(21(23,24)25)8-15(26)7-13)28-18-10-19(22)29-20-17(18)9-16(11-27-20)30-2-4-31-5-3-30/h6-12H,2-5,26H2,1H3,(H,27,28,29).
What are the key properties of N-[1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-chloro-6-morpholin-4-yl-1,8-naphthyridin-4-amine?
N-[1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-chloro-6-morpholin-4-yl-1,8-naphthyridin-4-amine has a molecular weight of 451.88 g/mol, XLogP of 4.89, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-chloro-6-morpholin-4-yl-1,8-naphthyridin-4-amine is sourced from PubChem (CID 176726194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).