propyl 4-(2,3-dihydro-1H-inden-5-ylamino)-7-methyl-1,8-naphthyridine-3-carboxylate

C22H23N3O2 — CID 50836649

IUPACpropyl 4-(2,3-dihydro-1H-inden-5-ylamino)-7-methyl-1,8-naphthyridine-3-carboxylate
SMILESCCCOC(=O)c1cnc2nc(C)ccc2c1Nc1ccc2c(c1)CCC2
InChIInChI=1S/C22H23N3O2/c1-3-11-27-22(26)19-13-23-21-18(10-7-14(2)24-21)20(19)25-17-9-8-15-5-4-6-16(15)12-17/h7-10,12-13H,3-6,11H2,1-2H3,(H,23,24,25)
InChIKeyTWWRYFWFLJFFJM-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.74
Rot. Bonds5

About propyl 4-(2,3-dihydro-1H-inden-5-ylamino)-7-methyl-1,8-naphthyridine-3-carboxylate

propyl 4-(2,3-dihydro-1H-inden-5-ylamino)-7-methyl-1,8-naphthyridine-3-carboxylate (PubChem CID 50836649) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is propyl 4-(2,3-dihydro-1H-inden-5-ylamino)-7-methyl-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Namepropyl 4-(2,3-dihydro-1H-inden-5-ylamino)-7-methyl-1,8-naphthyridine-3-carboxylate
PubChem CID50836649
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Namepropyl 4-(2,3-dihydro-1H-inden-5-ylamino)-7-methyl-1,8-naphthyridine-3-carboxylate
SMILESCCCOC(=O)c1cnc2nc(C)ccc2c1Nc1ccc2c(c1)CCC2
InChIInChI=1S/C22H23N3O2/c1-3-11-27-22(26)19-13-23-21-18(10-7-14(2)24-21)20(19)25-17-9-8-15-5-4-6-16(15)12-17/h7-10,12-13H,3-6,11H2,1-2H3,(H,23,24,25)
InChIKeyTWWRYFWFLJFFJM-UHFFFAOYSA-N
XLogP4.74
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propyl 4-(2,3-dihydro-1H-inden-5-ylamino)-7-methyl-1,8-naphthyridine-3-carboxylate?
The IUPAC name of propyl 4-(2,3-dihydro-1H-inden-5-ylamino)-7-methyl-1,8-naphthyridine-3-carboxylate (CID 50836649) is propyl 4-(2,3-dihydro-1H-inden-5-ylamino)-7-methyl-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for propyl 4-(2,3-dihydro-1H-inden-5-ylamino)-7-methyl-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for propyl 4-(2,3-dihydro-1H-inden-5-ylamino)-7-methyl-1,8-naphthyridine-3-carboxylate is CCCOC(=O)c1cnc2nc(C)ccc2c1Nc1ccc2c(c1)CCC2.
What is the InChIKey of propyl 4-(2,3-dihydro-1H-inden-5-ylamino)-7-methyl-1,8-naphthyridine-3-carboxylate?
The InChIKey is TWWRYFWFLJFFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-3-11-27-22(26)19-13-23-21-18(10-7-14(2)24-21)20(19)25-17-9-8-15-5-4-6-16(15)12-17/h7-10,12-13H,3-6,11H2,1-2H3,(H,23,24,25).
What are the key properties of propyl 4-(2,3-dihydro-1H-inden-5-ylamino)-7-methyl-1,8-naphthyridine-3-carboxylate?
propyl 4-(2,3-dihydro-1H-inden-5-ylamino)-7-methyl-1,8-naphthyridine-3-carboxylate has a molecular weight of 361.45 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-(2,3-dihydro-1H-inden-5-ylamino)-7-methyl-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 50836649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).