2-[[8-(3-bromo-2-methylanilino)-1,7-naphthyridin-3-yl]amino]ethanol

C17H17BrN4O — CID 135146210

IUPAC2-[[8-(3-bromo-2-methylanilino)-1,7-naphthyridin-3-yl]amino]ethanol
SMILESCc1c(Br)cccc1Nc1nccc2cc(NCCO)cnc12
InChIInChI=1S/C17H17BrN4O/c1-11-14(18)3-2-4-15(11)22-17-16-12(5-6-20-17)9-13(10-21-16)19-7-8-23/h2-6,9-10,19,23H,7-8H2,1H3,(H,20,22)
InChIKeyPBFMWJDEJRUVIF-UHFFFAOYSA-N
MW373.25 g/mol
LogP3.85
Rot. Bonds5

About 2-[[8-(3-bromo-2-methylanilino)-1,7-naphthyridin-3-yl]amino]ethanol

2-[[8-(3-bromo-2-methylanilino)-1,7-naphthyridin-3-yl]amino]ethanol (PubChem CID 135146210) has the molecular formula C17H17BrN4O and a molecular weight of 373.25 g/mol. Its IUPAC name is 2-[[8-(3-bromo-2-methylanilino)-1,7-naphthyridin-3-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[8-(3-bromo-2-methylanilino)-1,7-naphthyridin-3-yl]amino]ethanol
PubChem CID135146210
Molecular FormulaC17H17BrN4O
Molecular Weight373.25 g/mol
Exact Mass372.06
IUPAC Name2-[[8-(3-bromo-2-methylanilino)-1,7-naphthyridin-3-yl]amino]ethanol
SMILESCc1c(Br)cccc1Nc1nccc2cc(NCCO)cnc12
InChIInChI=1S/C17H17BrN4O/c1-11-14(18)3-2-4-15(11)22-17-16-12(5-6-20-17)9-13(10-21-16)19-7-8-23/h2-6,9-10,19,23H,7-8H2,1H3,(H,20,22)
InChIKeyPBFMWJDEJRUVIF-UHFFFAOYSA-N
XLogP3.85
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.25
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[8-(3-bromo-2-methylanilino)-1,7-naphthyridin-3-yl]amino]ethanol with MolForge

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Related Compounds

(3S)-1-[[8-(3-bromo-2-methylanilino)-1,7-naphthyridin-3-yl]methyl]-3-methylpyrrolidin-3-ol
CID 135148331
2-[[8-[3-[3-[[3-[(2-hydroxyethylamino)methyl]-1,7-naphthyridin-8-yl]amino]-2-methylphenyl]-2-methylanilino]-1,7-naphthyridin-3-yl]methylamino]acetic acid
CID 139573258
3-(ethylaminomethyl)-N-(2-methyl-3-phenylphenyl)-1,7-naphthyridin-8-amine
CID 146304542
3-N-(3-bromo-2-methylphenyl)pyrazine-2,3-diamine
CID 107638555
5-bromo-4-N-(3-bromo-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine
CID 107638633
4-N-(3-bromo-2-methylphenyl)-2-N-propylpyridine-2,4-diamine
CID 107638611
5-N-(3-bromo-2-methylphenyl)-3-N-ethylpyridine-3,5-diamine
CID 107638767
5-bromo-N-(3-bromo-2-methylphenyl)-2-chloropyrimidin-4-amine
CID 107637005
3-bromo-N-(3-bromo-2-methylphenyl)-5-chloropyridin-2-amine
CID 107638006
4-N-(3-bromo-2-methylphenyl)-5-fluoropyrimidine-2,4-diamine
CID 107638778
N-(3-bromo-2-methylphenyl)-2-chloro-5-fluoropyrimidin-4-amine
CID 107636939
2-[(3-bromo-2-pyridinyl)amino]ethanol
CID 61374645

Frequently Asked Questions

What is the IUPAC name of 2-[[8-(3-bromo-2-methylanilino)-1,7-naphthyridin-3-yl]amino]ethanol?
The IUPAC name of 2-[[8-(3-bromo-2-methylanilino)-1,7-naphthyridin-3-yl]amino]ethanol (CID 135146210) is 2-[[8-(3-bromo-2-methylanilino)-1,7-naphthyridin-3-yl]amino]ethanol.
What is the SMILES notation for 2-[[8-(3-bromo-2-methylanilino)-1,7-naphthyridin-3-yl]amino]ethanol?
The canonical SMILES for 2-[[8-(3-bromo-2-methylanilino)-1,7-naphthyridin-3-yl]amino]ethanol is Cc1c(Br)cccc1Nc1nccc2cc(NCCO)cnc12.
What is the InChIKey of 2-[[8-(3-bromo-2-methylanilino)-1,7-naphthyridin-3-yl]amino]ethanol?
The InChIKey is PBFMWJDEJRUVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN4O/c1-11-14(18)3-2-4-15(11)22-17-16-12(5-6-20-17)9-13(10-21-16)19-7-8-23/h2-6,9-10,19,23H,7-8H2,1H3,(H,20,22).
What are the key properties of 2-[[8-(3-bromo-2-methylanilino)-1,7-naphthyridin-3-yl]amino]ethanol?
2-[[8-(3-bromo-2-methylanilino)-1,7-naphthyridin-3-yl]amino]ethanol has a molecular weight of 373.25 g/mol, XLogP of 3.85, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[8-(3-bromo-2-methylanilino)-1,7-naphthyridin-3-yl]amino]ethanol is sourced from PubChem (CID 135146210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).