7-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)-1,5-naphthyridin-4-amine

C11H8BrN5O — CID 106403276

IUPAC7-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)-1,5-naphthyridin-4-amine
SMILESBrc1cnc2c(NCc3ncon3)ccnc2c1
InChIInChI=1S/C11H8BrN5O/c12-7-3-9-11(15-4-7)8(1-2-13-9)14-5-10-16-6-18-17-10/h1-4,6H,5H2,(H,13,14)
InChIKeyDLTGKKWITRFJLQ-UHFFFAOYSA-N
MW306.12 g/mol
LogP2.39
Rot. Bonds3

About 7-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)-1,5-naphthyridin-4-amine

7-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)-1,5-naphthyridin-4-amine (PubChem CID 106403276) has the molecular formula C11H8BrN5O and a molecular weight of 306.12 g/mol. Its IUPAC name is 7-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)-1,5-naphthyridin-4-amine.

Molecular Properties

Compound Name7-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)-1,5-naphthyridin-4-amine
PubChem CID106403276
Molecular FormulaC11H8BrN5O
Molecular Weight306.12 g/mol
Exact Mass304.99
IUPAC Name7-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)-1,5-naphthyridin-4-amine
SMILESBrc1cnc2c(NCc3ncon3)ccnc2c1
InChIInChI=1S/C11H8BrN5O/c12-7-3-9-11(15-4-7)8(1-2-13-9)14-5-10-16-6-18-17-10/h1-4,6H,5H2,(H,13,14)
InChIKeyDLTGKKWITRFJLQ-UHFFFAOYSA-N
XLogP2.39
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.12
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-bromo-N-(1,2-oxazol-5-ylmethyl)-1,5-naphthyridin-4-amine
CID 106419106
N-(1,2,4-oxadiazol-3-ylmethyl)quinolin-4-amine
CID 106402958
5-bromo-3-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridin-2-amine
CID 106403591
N-(1,2,4-oxadiazol-3-ylmethyl)-1H-pyrazolo[4,3-b]pyridin-7-amine
CID 138692739
7-bromo-N-[(2-methylcyclopropyl)methyl]-1,5-naphthyridin-4-amine
CID 113463910
7-bromo-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,5-naphthyridin-4-amine
CID 133483569
7-bromo-N-[(4-ethylsulfonylphenyl)methyl]-1,5-naphthyridin-4-amine
CID 133465726
3-[(7-bromo-1,5-naphthyridin-4-yl)amino]-2-methylpropane-1,2-diol
CID 113394421
7-bromo-N-[[4-(2-methoxyethoxy)phenyl]methyl]-1,5-naphthyridin-4-amine
CID 133481963
7-bromo-N-[(2-methylcyclopentyl)methyl]-1,5-naphthyridin-4-amine
CID 107419345
1-N-(7-bromo-1,5-naphthyridin-4-yl)-3-ethylpentane-1,2-diamine
CID 106286919
5-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)-2-(trifluoromethyl)aniline
CID 114184328

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)-1,5-naphthyridin-4-amine?
The IUPAC name of 7-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)-1,5-naphthyridin-4-amine (CID 106403276) is 7-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)-1,5-naphthyridin-4-amine.
What is the SMILES notation for 7-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)-1,5-naphthyridin-4-amine?
The canonical SMILES for 7-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)-1,5-naphthyridin-4-amine is Brc1cnc2c(NCc3ncon3)ccnc2c1.
What is the InChIKey of 7-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)-1,5-naphthyridin-4-amine?
The InChIKey is DLTGKKWITRFJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN5O/c12-7-3-9-11(15-4-7)8(1-2-13-9)14-5-10-16-6-18-17-10/h1-4,6H,5H2,(H,13,14).
What are the key properties of 7-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)-1,5-naphthyridin-4-amine?
7-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)-1,5-naphthyridin-4-amine has a molecular weight of 306.12 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)-1,5-naphthyridin-4-amine is sourced from PubChem (CID 106403276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).