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

C14H17BrN4O — CID 103111680

IUPAC2-[(7-bromo-1,5-naphthyridin-4-yl)amino]-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)Nc1ccnc2cc(Br)cnc12
InChIInChI=1S/C14H17BrN4O/c1-4-19(3)14(20)9(2)18-11-5-6-16-12-7-10(15)8-17-13(11)12/h5-9H,4H2,1-3H3,(H,16,18)
InChIKeyNZWLSUDUTLJIMX-UHFFFAOYSA-N
MW337.22 g/mol
LogP2.67
Rot. Bonds4

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

2-[(7-bromo-1,5-naphthyridin-4-yl)amino]-N-ethyl-N-methylpropanamide (PubChem CID 103111680) has the molecular formula C14H17BrN4O and a molecular weight of 337.22 g/mol. Its IUPAC name is 2-[(7-bromo-1,5-naphthyridin-4-yl)amino]-N-ethyl-N-methylpropanamide.

Molecular Properties

Compound Name2-[(7-bromo-1,5-naphthyridin-4-yl)amino]-N-ethyl-N-methylpropanamide
PubChem CID103111680
Molecular FormulaC14H17BrN4O
Molecular Weight337.22 g/mol
Exact Mass336.06
IUPAC Name2-[(7-bromo-1,5-naphthyridin-4-yl)amino]-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)Nc1ccnc2cc(Br)cnc12
InChIInChI=1S/C14H17BrN4O/c1-4-19(3)14(20)9(2)18-11-5-6-16-12-7-10(15)8-17-13(11)12/h5-9H,4H2,1-3H3,(H,16,18)
InChIKeyNZWLSUDUTLJIMX-UHFFFAOYSA-N
XLogP2.67
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(7-aminoquinolin-4-yl)amino]-N-ethyl-N-methylpropanamide
CID 103106780
2-[(6-chloroquinolin-4-yl)amino]-N-ethyl-N-methylpropanamide
CID 154839535
7-bromo-N-(1-chloro-4-methylpentan-2-yl)-1,5-naphthyridin-4-amine
CID 113394587
7-bromo-N-pent-1-yn-3-yl-1,5-naphthyridin-4-amine
CID 106231224
7-bromo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,5-naphthyridin-4-amine
CID 104891854
2-[(4-amino-1,3-benzothiazol-5-yl)amino]-N-ethyl-N-methylpropanamide
CID 103106749
2-[(6-bromo-1,3-benzothiazol-2-yl)amino]-N-ethyl-N-methylpropanamide
CID 103112246
2-[(2-chloro-4-pyridinyl)amino]-N-ethyl-N-methylpropanamide
CID 103112969
1-[(7-bromo-1,5-naphthyridin-4-yl)amino]-3-ethylpentan-2-ol
CID 104891759
7-bromo-N-(2-methyl-3-nitropropyl)-1,5-naphthyridin-4-amine
CID 67052452
2-[(5-bromo-2-pyridinyl)methylamino]-N-ethyl-N-methylpropanamide
CID 103108096
3-[(7-bromo-1,5-naphthyridin-4-yl)amino]-N,2,2-trimethylpropanamide
CID 91660936

Frequently Asked Questions

What is the IUPAC name of 2-[(7-bromo-1,5-naphthyridin-4-yl)amino]-N-ethyl-N-methylpropanamide?
The IUPAC name of 2-[(7-bromo-1,5-naphthyridin-4-yl)amino]-N-ethyl-N-methylpropanamide (CID 103111680) is 2-[(7-bromo-1,5-naphthyridin-4-yl)amino]-N-ethyl-N-methylpropanamide.
What is the SMILES notation for 2-[(7-bromo-1,5-naphthyridin-4-yl)amino]-N-ethyl-N-methylpropanamide?
The canonical SMILES for 2-[(7-bromo-1,5-naphthyridin-4-yl)amino]-N-ethyl-N-methylpropanamide is CCN(C)C(=O)C(C)Nc1ccnc2cc(Br)cnc12.
What is the InChIKey of 2-[(7-bromo-1,5-naphthyridin-4-yl)amino]-N-ethyl-N-methylpropanamide?
The InChIKey is NZWLSUDUTLJIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4O/c1-4-19(3)14(20)9(2)18-11-5-6-16-12-7-10(15)8-17-13(11)12/h5-9H,4H2,1-3H3,(H,16,18).
What are the key properties of 2-[(7-bromo-1,5-naphthyridin-4-yl)amino]-N-ethyl-N-methylpropanamide?
2-[(7-bromo-1,5-naphthyridin-4-yl)amino]-N-ethyl-N-methylpropanamide has a molecular weight of 337.22 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 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-ethyl-N-methylpropanamide is sourced from PubChem (CID 103111680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).