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

C14H17BrN4 — CID 114794555

IUPAC7-bromo-N-(2-pyrrolidin-2-ylethyl)-1,5-naphthyridin-4-amine
SMILESBrc1cnc2c(NCCC3CCCN3)ccnc2c1
InChIInChI=1S/C14H17BrN4/c15-10-8-13-14(19-9-10)12(4-7-18-13)17-6-3-11-2-1-5-16-11/h4,7-9,11,16H,1-3,5-6H2,(H,17,18)
InChIKeyOAFRJXXVUWGNDN-UHFFFAOYSA-N
MW321.22 g/mol
LogP2.95
Rot. Bonds4

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

7-bromo-N-(2-pyrrolidin-2-ylethyl)-1,5-naphthyridin-4-amine (PubChem CID 114794555) has the molecular formula C14H17BrN4 and a molecular weight of 321.22 g/mol. Its IUPAC name is 7-bromo-N-(2-pyrrolidin-2-ylethyl)-1,5-naphthyridin-4-amine.

Molecular Properties

Compound Name7-bromo-N-(2-pyrrolidin-2-ylethyl)-1,5-naphthyridin-4-amine
PubChem CID114794555
Molecular FormulaC14H17BrN4
Molecular Weight321.22 g/mol
Exact Mass320.06
IUPAC Name7-bromo-N-(2-pyrrolidin-2-ylethyl)-1,5-naphthyridin-4-amine
SMILESBrc1cnc2c(NCCC3CCCN3)ccnc2c1
InChIInChI=1S/C14H17BrN4/c15-10-8-13-14(19-9-10)12(4-7-18-13)17-6-3-11-2-1-5-16-11/h4,7-9,11,16H,1-3,5-6H2,(H,17,18)
InChIKeyOAFRJXXVUWGNDN-UHFFFAOYSA-N
XLogP2.95
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-bromo-N-(pyrrolidin-2-ylmethyl)-1,5-naphthyridin-4-amine
CID 113394440
3,5-dibromo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridin-2-amine
CID 104973107
7-bromo-N-(morpholin-3-ylmethyl)-1,5-naphthyridin-4-amine
CID 103549139
7-chloro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]quinolin-4-amine
CID 104973339
5-bromo-2-methyl-N-(2-pyrrolidin-2-ylethyl)aniline
CID 115210168
7-bromo-N-[(2-methylcyclopentyl)methyl]-1,5-naphthyridin-4-amine
CID 107419345
8-bromo-5-fluoro-N-(2-piperidin-2-ylethyl)quinolin-4-amine
CID 166349132
3-bromo-4-[2-[(2R)-pyrrolidin-2-yl]ethylamino]benzonitrile
CID 104973065
7-bromo-N-[(2-methylcyclopropyl)methyl]-1,5-naphthyridin-4-amine
CID 113463910
3-bromo-4-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridin-2-amine
CID 106876235
3-bromo-5-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridin-2-amine
CID 105367436
3-bromo-5-methyl-N-(2-pyrrolidin-2-ylethyl)pyridin-2-amine
CID 105367435

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-(2-pyrrolidin-2-ylethyl)-1,5-naphthyridin-4-amine?
The IUPAC name of 7-bromo-N-(2-pyrrolidin-2-ylethyl)-1,5-naphthyridin-4-amine (CID 114794555) is 7-bromo-N-(2-pyrrolidin-2-ylethyl)-1,5-naphthyridin-4-amine.
What is the SMILES notation for 7-bromo-N-(2-pyrrolidin-2-ylethyl)-1,5-naphthyridin-4-amine?
The canonical SMILES for 7-bromo-N-(2-pyrrolidin-2-ylethyl)-1,5-naphthyridin-4-amine is Brc1cnc2c(NCCC3CCCN3)ccnc2c1.
What is the InChIKey of 7-bromo-N-(2-pyrrolidin-2-ylethyl)-1,5-naphthyridin-4-amine?
The InChIKey is OAFRJXXVUWGNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4/c15-10-8-13-14(19-9-10)12(4-7-18-13)17-6-3-11-2-1-5-16-11/h4,7-9,11,16H,1-3,5-6H2,(H,17,18).
What are the key properties of 7-bromo-N-(2-pyrrolidin-2-ylethyl)-1,5-naphthyridin-4-amine?
7-bromo-N-(2-pyrrolidin-2-ylethyl)-1,5-naphthyridin-4-amine has a molecular weight of 321.22 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-(2-pyrrolidin-2-ylethyl)-1,5-naphthyridin-4-amine is sourced from PubChem (CID 114794555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).