methyl 5-[3-(2-aminoethyl)indole-1-carbonyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate

C21H22N4O3 — CID 112528847

IUPACmethyl 5-[3-(2-aminoethyl)indole-1-carbonyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
SMILESCOC(=O)N1CCc2c(cncc2C(=O)n2cc(CCN)c3ccccc32)C1
InChIInChI=1S/C21H22N4O3/c1-28-21(27)24-9-7-16-15(12-24)10-23-11-18(16)20(26)25-13-14(6-8-22)17-4-2-3-5-19(17)25/h2-5,10-11,13H,6-9,12,22H2,1H3
InChIKeyZAFHFYLQZLAREN-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.35
Rot. Bonds3

About methyl 5-[3-(2-aminoethyl)indole-1-carbonyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate

methyl 5-[3-(2-aminoethyl)indole-1-carbonyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate (PubChem CID 112528847) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is methyl 5-[3-(2-aminoethyl)indole-1-carbonyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[3-(2-aminoethyl)indole-1-carbonyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
PubChem CID112528847
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Namemethyl 5-[3-(2-aminoethyl)indole-1-carbonyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
SMILESCOC(=O)N1CCc2c(cncc2C(=O)n2cc(CCN)c3ccccc32)C1
InChIInChI=1S/C21H22N4O3/c1-28-21(27)24-9-7-16-15(12-24)10-23-11-18(16)20(26)25-13-14(6-8-22)17-4-2-3-5-19(17)25/h2-5,10-11,13H,6-9,12,22H2,1H3
InChIKeyZAFHFYLQZLAREN-UHFFFAOYSA-N
XLogP2.35
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 5-[3-(2-aminoethyl)indole-1-carbonyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate with MolForge

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Related Compounds

[3-(2-aminoethyl)indol-1-yl]-(7-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methanone
CID 112528845
methyl 5-[3-(2-aminoethyl)-2-methylindole-1-carbonyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
CID 112529749
methyl 5-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
CID 112530449
methyl 5-[(2-methylphenyl)carbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
CID 112520462
methyl 5-[2-(4-methoxyphenyl)ethylcarbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
CID 112528995
methyl 5-[(4-phenoxyphenyl)carbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
CID 112523914
methyl 3-(aminomethyl)indole-1-carboxylate
CID 155065457
methyl 5-[(2,4-dichlorophenyl)carbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
CID 112523962
methyl 7-(4-chlorobenzoyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate
CID 112535184
methyl 5-(2-morpholin-4-ylethylcarbamoyl)-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
CID 112520313
ethyl 5-[(2,3-dimethylphenyl)carbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
CID 112522574
7-acetyl-N-[2-(2-methoxyphenyl)ethyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112529305

Frequently Asked Questions

What is the IUPAC name of methyl 5-[3-(2-aminoethyl)indole-1-carbonyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate?
The IUPAC name of methyl 5-[3-(2-aminoethyl)indole-1-carbonyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate (CID 112528847) is methyl 5-[3-(2-aminoethyl)indole-1-carbonyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate.
What is the SMILES notation for methyl 5-[3-(2-aminoethyl)indole-1-carbonyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate?
The canonical SMILES for methyl 5-[3-(2-aminoethyl)indole-1-carbonyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate is COC(=O)N1CCc2c(cncc2C(=O)n2cc(CCN)c3ccccc32)C1.
What is the InChIKey of methyl 5-[3-(2-aminoethyl)indole-1-carbonyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate?
The InChIKey is ZAFHFYLQZLAREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-28-21(27)24-9-7-16-15(12-24)10-23-11-18(16)20(26)25-13-14(6-8-22)17-4-2-3-5-19(17)25/h2-5,10-11,13H,6-9,12,22H2,1H3.
What are the key properties of methyl 5-[3-(2-aminoethyl)indole-1-carbonyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate?
methyl 5-[3-(2-aminoethyl)indole-1-carbonyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate has a molecular weight of 378.43 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[3-(2-aminoethyl)indole-1-carbonyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate is sourced from PubChem (CID 112528847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).