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

C13H15BrN4 — CID 113394440

IUPAC7-bromo-N-(pyrrolidin-2-ylmethyl)-1,5-naphthyridin-4-amine
SMILESBrc1cnc2c(NCC3CCCN3)ccnc2c1
InChIInChI=1S/C13H15BrN4/c14-9-6-12-13(18-7-9)11(3-5-16-12)17-8-10-2-1-4-15-10/h3,5-7,10,15H,1-2,4,8H2,(H,16,17)
InChIKeyMCFHRXWRTUNHQQ-UHFFFAOYSA-N
MW307.19 g/mol
LogP2.56
Rot. Bonds3

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

7-bromo-N-(pyrrolidin-2-ylmethyl)-1,5-naphthyridin-4-amine (PubChem CID 113394440) has the molecular formula C13H15BrN4 and a molecular weight of 307.19 g/mol. Its IUPAC name is 7-bromo-N-(pyrrolidin-2-ylmethyl)-1,5-naphthyridin-4-amine.

Molecular Properties

Compound Name7-bromo-N-(pyrrolidin-2-ylmethyl)-1,5-naphthyridin-4-amine
PubChem CID113394440
Molecular FormulaC13H15BrN4
Molecular Weight307.19 g/mol
Exact Mass306.05
IUPAC Name7-bromo-N-(pyrrolidin-2-ylmethyl)-1,5-naphthyridin-4-amine
SMILESBrc1cnc2c(NCC3CCCN3)ccnc2c1
InChIInChI=1S/C13H15BrN4/c14-9-6-12-13(18-7-9)11(3-5-16-12)17-8-10-2-1-4-15-10/h3,5-7,10,15H,1-2,4,8H2,(H,16,17)
InChIKeyMCFHRXWRTUNHQQ-UHFFFAOYSA-N
XLogP2.56
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-bromo-N-(2-pyrrolidin-2-ylethyl)-1,5-naphthyridin-4-amine
CID 114794555
7-bromo-N-(morpholin-3-ylmethyl)-1,5-naphthyridin-4-amine
CID 103549139
7-bromo-N-[(2-methylcyclopentyl)methyl]-1,5-naphthyridin-4-amine
CID 107419345
7-bromo-N-[(2-methylcyclopropyl)methyl]-1,5-naphthyridin-4-amine
CID 113463910
5-bromo-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 62542196
7-bromo-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1,5-naphthyridin-4-amine
CID 104891823
5-bromo-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 62542194
trans-(1S,2S)-2-[(7-bromo-1,5-naphthyridin-4-yl)amino]cyclopentan-1-ol
CID 99777938
2-[(7-bromo-1,5-naphthyridin-4-yl)amino]cyclopentan-1-ol
CID 91648836
7-bromo-N-[2-(chloromethyl)cyclohexyl]-1,5-naphthyridin-4-amine
CID 106365685
7-bromo-N-[2-(chloromethyl)cyclopentyl]-1,5-naphthyridin-4-amine
CID 106365510
7-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-1,5-naphthyridin-4-amine
CID 116646580

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-(pyrrolidin-2-ylmethyl)-1,5-naphthyridin-4-amine?
The IUPAC name of 7-bromo-N-(pyrrolidin-2-ylmethyl)-1,5-naphthyridin-4-amine (CID 113394440) is 7-bromo-N-(pyrrolidin-2-ylmethyl)-1,5-naphthyridin-4-amine.
What is the SMILES notation for 7-bromo-N-(pyrrolidin-2-ylmethyl)-1,5-naphthyridin-4-amine?
The canonical SMILES for 7-bromo-N-(pyrrolidin-2-ylmethyl)-1,5-naphthyridin-4-amine is Brc1cnc2c(NCC3CCCN3)ccnc2c1.
What is the InChIKey of 7-bromo-N-(pyrrolidin-2-ylmethyl)-1,5-naphthyridin-4-amine?
The InChIKey is MCFHRXWRTUNHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4/c14-9-6-12-13(18-7-9)11(3-5-16-12)17-8-10-2-1-4-15-10/h3,5-7,10,15H,1-2,4,8H2,(H,16,17).
What are the key properties of 7-bromo-N-(pyrrolidin-2-ylmethyl)-1,5-naphthyridin-4-amine?
7-bromo-N-(pyrrolidin-2-ylmethyl)-1,5-naphthyridin-4-amine has a molecular weight of 307.19 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-(pyrrolidin-2-ylmethyl)-1,5-naphthyridin-4-amine is sourced from PubChem (CID 113394440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).