1-(7-bromo-1,5-naphthyridin-4-yl)-N-ethylazetidine-3-carboxamide

C14H15BrN4O — CID 75509889

IUPAC1-(7-bromo-1,5-naphthyridin-4-yl)-N-ethylazetidine-3-carboxamide
SMILESCCNC(=O)C1CN(c2ccnc3cc(Br)cnc23)C1
InChIInChI=1S/C14H15BrN4O/c1-2-16-14(20)9-7-19(8-9)12-3-4-17-11-5-10(15)6-18-13(11)12/h3-6,9H,2,7-8H2,1H3,(H,16,20)
InChIKeyYWYTXCYIKRNXGC-UHFFFAOYSA-N
MW335.21 g/mol
LogP1.96
Rot. Bonds3

About 1-(7-bromo-1,5-naphthyridin-4-yl)-N-ethylazetidine-3-carboxamide

1-(7-bromo-1,5-naphthyridin-4-yl)-N-ethylazetidine-3-carboxamide (PubChem CID 75509889) has the molecular formula C14H15BrN4O and a molecular weight of 335.21 g/mol. Its IUPAC name is 1-(7-bromo-1,5-naphthyridin-4-yl)-N-ethylazetidine-3-carboxamide.

Molecular Properties

Compound Name1-(7-bromo-1,5-naphthyridin-4-yl)-N-ethylazetidine-3-carboxamide
PubChem CID75509889
Molecular FormulaC14H15BrN4O
Molecular Weight335.21 g/mol
Exact Mass334.04
IUPAC Name1-(7-bromo-1,5-naphthyridin-4-yl)-N-ethylazetidine-3-carboxamide
SMILESCCNC(=O)C1CN(c2ccnc3cc(Br)cnc23)C1
InChIInChI=1S/C14H15BrN4O/c1-2-16-14(20)9-7-19(8-9)12-3-4-17-11-5-10(15)6-18-13(11)12/h3-6,9H,2,7-8H2,1H3,(H,16,20)
InChIKeyYWYTXCYIKRNXGC-UHFFFAOYSA-N
XLogP1.96
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.21
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(7-bromo-1,5-naphthyridin-4-yl)-N-ethylazetidine-3-carboxamide?
The IUPAC name of 1-(7-bromo-1,5-naphthyridin-4-yl)-N-ethylazetidine-3-carboxamide (CID 75509889) is 1-(7-bromo-1,5-naphthyridin-4-yl)-N-ethylazetidine-3-carboxamide.
What is the SMILES notation for 1-(7-bromo-1,5-naphthyridin-4-yl)-N-ethylazetidine-3-carboxamide?
The canonical SMILES for 1-(7-bromo-1,5-naphthyridin-4-yl)-N-ethylazetidine-3-carboxamide is CCNC(=O)C1CN(c2ccnc3cc(Br)cnc23)C1.
What is the InChIKey of 1-(7-bromo-1,5-naphthyridin-4-yl)-N-ethylazetidine-3-carboxamide?
The InChIKey is YWYTXCYIKRNXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4O/c1-2-16-14(20)9-7-19(8-9)12-3-4-17-11-5-10(15)6-18-13(11)12/h3-6,9H,2,7-8H2,1H3,(H,16,20).
What are the key properties of 1-(7-bromo-1,5-naphthyridin-4-yl)-N-ethylazetidine-3-carboxamide?
1-(7-bromo-1,5-naphthyridin-4-yl)-N-ethylazetidine-3-carboxamide has a molecular weight of 335.21 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bromo-1,5-naphthyridin-4-yl)-N-ethylazetidine-3-carboxamide is sourced from PubChem (CID 75509889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).