2-[(7-bromo-1,5-naphthyridin-4-yl)amino]-N-cyclopropylacetamide

C13H13BrN4O — CID 113394394

IUPAC2-[(7-bromo-1,5-naphthyridin-4-yl)amino]-N-cyclopropylacetamide
SMILESO=C(CNc1ccnc2cc(Br)cnc12)NC1CC1
InChIInChI=1S/C13H13BrN4O/c14-8-5-11-13(17-6-8)10(3-4-15-11)16-7-12(19)18-9-1-2-9/h3-6,9H,1-2,7H2,(H,15,16)(H,18,19)
InChIKeySYBQXKSZNZBYSE-UHFFFAOYSA-N
MW321.18 g/mol
LogP2.08
Rot. Bonds4

About 2-[(7-bromo-1,5-naphthyridin-4-yl)amino]-N-cyclopropylacetamide

2-[(7-bromo-1,5-naphthyridin-4-yl)amino]-N-cyclopropylacetamide (PubChem CID 113394394) has the molecular formula C13H13BrN4O and a molecular weight of 321.18 g/mol. Its IUPAC name is 2-[(7-bromo-1,5-naphthyridin-4-yl)amino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[(7-bromo-1,5-naphthyridin-4-yl)amino]-N-cyclopropylacetamide
PubChem CID113394394
Molecular FormulaC13H13BrN4O
Molecular Weight321.18 g/mol
Exact Mass320.03
IUPAC Name2-[(7-bromo-1,5-naphthyridin-4-yl)amino]-N-cyclopropylacetamide
SMILESO=C(CNc1ccnc2cc(Br)cnc12)NC1CC1
InChIInChI=1S/C13H13BrN4O/c14-8-5-11-13(17-6-8)10(3-4-15-11)16-7-12(19)18-9-1-2-9/h3-6,9H,1-2,7H2,(H,15,16)(H,18,19)
InChIKeySYBQXKSZNZBYSE-UHFFFAOYSA-N
XLogP2.08
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.18
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-amino-3-bromoquinolin-8-yl)amino]-N-cyclopropylacetamide
CID 106949064
7-bromo-N-[(2-methylcyclopropyl)methyl]-1,5-naphthyridin-4-amine
CID 113463910
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-(pyrrolidin-2-ylmethyl)-1,5-naphthyridin-4-amine
CID 113394440
3-[(7-bromo-1,5-naphthyridin-4-yl)amino]-N,2,2-trimethylpropanamide
CID 91660936
7-bromo-N-[(2-methylcyclopentyl)methyl]-1,5-naphthyridin-4-amine
CID 107419345
2-[(3-amino-4-pyridinyl)amino]-N-cyclopropylacetamide
CID 43568204
3-[(7-bromo-1,5-naphthyridin-4-yl)amino]-2-methylpropane-1,2-diol
CID 113394421
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-(2-pyrrolidin-2-ylethyl)-1,5-naphthyridin-4-amine
CID 114794555

Frequently Asked Questions

What is the IUPAC name of 2-[(7-bromo-1,5-naphthyridin-4-yl)amino]-N-cyclopropylacetamide?
The IUPAC name of 2-[(7-bromo-1,5-naphthyridin-4-yl)amino]-N-cyclopropylacetamide (CID 113394394) is 2-[(7-bromo-1,5-naphthyridin-4-yl)amino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[(7-bromo-1,5-naphthyridin-4-yl)amino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[(7-bromo-1,5-naphthyridin-4-yl)amino]-N-cyclopropylacetamide is O=C(CNc1ccnc2cc(Br)cnc12)NC1CC1.
What is the InChIKey of 2-[(7-bromo-1,5-naphthyridin-4-yl)amino]-N-cyclopropylacetamide?
The InChIKey is SYBQXKSZNZBYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN4O/c14-8-5-11-13(17-6-8)10(3-4-15-11)16-7-12(19)18-9-1-2-9/h3-6,9H,1-2,7H2,(H,15,16)(H,18,19).
What are the key properties of 2-[(7-bromo-1,5-naphthyridin-4-yl)amino]-N-cyclopropylacetamide?
2-[(7-bromo-1,5-naphthyridin-4-yl)amino]-N-cyclopropylacetamide has a molecular weight of 321.18 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-bromo-1,5-naphthyridin-4-yl)amino]-N-cyclopropylacetamide is sourced from PubChem (CID 113394394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).