3-(2,3-dihydro-1H-inden-4-yl)-3-formamidopropanoic acid;7-(3-piperidin-1-ylpropyl)-1,2,3,4-tetrahydro-1,8-naphthyridine

C29H40N4O3 — CID 165121202

IUPAC3-(2,3-dihydro-1H-inden-4-yl)-3-formamidopropanoic acid;7-(3-piperidin-1-ylpropyl)-1,2,3,4-tetrahydro-1,8-naphthyridine
SMILESO=CNC(CC(=O)O)c1cccc2c1CCC2.c1cc2c(nc1CCCN1CCCCC1)NCCC2
InChIInChI=1S/C16H25N3.C13H15NO3/c1-2-11-19(12-3-1)13-5-7-15-9-8-14-6-4-10-17-16(14)18-15;15-8-14-12(7-13(16)17)11-6-2-4-9-3-1-5-10(9)11/h8-9H,1-7,10-13H2,(H,17,18);2,4,6,8,12H,1,3,5,7H2,(H,14,15)(H,16,17)
InChIKeyVKFBDUOIUVTAES-UHFFFAOYSA-N
MW492.66 g/mol
LogP4.30
Rot. Bonds9

About 3-(2,3-dihydro-1H-inden-4-yl)-3-formamidopropanoic acid;7-(3-piperidin-1-ylpropyl)-1,2,3,4-tetrahydro-1,8-naphthyridine

3-(2,3-dihydro-1H-inden-4-yl)-3-formamidopropanoic acid;7-(3-piperidin-1-ylpropyl)-1,2,3,4-tetrahydro-1,8-naphthyridine (PubChem CID 165121202) has the molecular formula C29H40N4O3 and a molecular weight of 492.66 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-4-yl)-3-formamidopropanoic acid;7-(3-piperidin-1-ylpropyl)-1,2,3,4-tetrahydro-1,8-naphthyridine.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-4-yl)-3-formamidopropanoic acid;7-(3-piperidin-1-ylpropyl)-1,2,3,4-tetrahydro-1,8-naphthyridine
PubChem CID165121202
Molecular FormulaC29H40N4O3
Molecular Weight492.66 g/mol
Exact Mass492.31
IUPAC Name3-(2,3-dihydro-1H-inden-4-yl)-3-formamidopropanoic acid;7-(3-piperidin-1-ylpropyl)-1,2,3,4-tetrahydro-1,8-naphthyridine
SMILESO=CNC(CC(=O)O)c1cccc2c1CCC2.c1cc2c(nc1CCCN1CCCCC1)NCCC2
InChIInChI=1S/C16H25N3.C13H15NO3/c1-2-11-19(12-3-1)13-5-7-15-9-8-14-6-4-10-17-16(14)18-15;15-8-14-12(7-13(16)17)11-6-2-4-9-3-1-5-10(9)11/h8-9H,1-7,10-13H2,(H,17,18);2,4,6,8,12H,1,3,5,7H2,(H,14,15)(H,16,17)
InChIKeyVKFBDUOIUVTAES-UHFFFAOYSA-N
XLogP4.30
TPSA94.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.66
LogP ≤ 54.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 3-(2,3-dihydro-1H-inden-4-yl)-3-formamidopropanoic acid;7-(3-piperidin-1-ylpropyl)-1,2,3,4-tetrahydro-1,8-naphthyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-3-(2,3-dihydro-1H-inden-4-yl)-3-[[(3R)-1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]piperidine-3-carbonyl]amino]propanoic acid
CID 174340033
3-(5,6,7,8-tetrahydronaphthalen-1-yl)-3-[[1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]piperidine-3-carbonyl]amino]propanoic acid
CID 174207189
1,3-dichlorobenzene;3-formamidopropanoic acid;7-(3-piperidin-1-ylpropyl)-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 165121218
benzene;3-(methylamino)propanoic acid;7-(3-piperidin-1-ylpropyl)-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 165121942
(3S)-3-(3-phenylphenyl)-3-[[(3R)-1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]piperidine-3-carbonyl]amino]propanoic acid
CID 165121527
(3S)-3-(3-pyrrolidin-1-ylphenyl)-3-[[(3R)-1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]piperidine-3-carbonyl]amino]propanoic acid
CID 165121708
1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]piperidine-4-carboxamide
CID 175876666
3-phenyl-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoylamino]propanoic acid
CID 75002097
3-[3-(1,4-dimethylpyrazol-5-yl)phenyl]-3-[[1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]piperidine-3-carbonyl]amino]propanoic acid;hydrochloride
CID 175526482
(3S)-3-(3-cyanophenyl)-3-[[(1S,5R)-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-3-azabicyclo[3.1.0]hexan-6-yl]amino]propanoic acid
CID 163414640
(3S)-3-[3-(3-methylpyrazol-1-yl)phenyl]-3-[[(3R)-1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]piperidine-3-carbonyl]amino]propanoic acid
CID 165121492
(3S)-3-quinolin-3-yl-3-[[(3R)-1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]piperidine-3-carbonyl]amino]propanoic acid
CID 165121855

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-4-yl)-3-formamidopropanoic acid;7-(3-piperidin-1-ylpropyl)-1,2,3,4-tetrahydro-1,8-naphthyridine?
The IUPAC name of 3-(2,3-dihydro-1H-inden-4-yl)-3-formamidopropanoic acid;7-(3-piperidin-1-ylpropyl)-1,2,3,4-tetrahydro-1,8-naphthyridine (CID 165121202) is 3-(2,3-dihydro-1H-inden-4-yl)-3-formamidopropanoic acid;7-(3-piperidin-1-ylpropyl)-1,2,3,4-tetrahydro-1,8-naphthyridine.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-4-yl)-3-formamidopropanoic acid;7-(3-piperidin-1-ylpropyl)-1,2,3,4-tetrahydro-1,8-naphthyridine?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-4-yl)-3-formamidopropanoic acid;7-(3-piperidin-1-ylpropyl)-1,2,3,4-tetrahydro-1,8-naphthyridine is O=CNC(CC(=O)O)c1cccc2c1CCC2.c1cc2c(nc1CCCN1CCCCC1)NCCC2.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-4-yl)-3-formamidopropanoic acid;7-(3-piperidin-1-ylpropyl)-1,2,3,4-tetrahydro-1,8-naphthyridine?
The InChIKey is VKFBDUOIUVTAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3.C13H15NO3/c1-2-11-19(12-3-1)13-5-7-15-9-8-14-6-4-10-17-16(14)18-15;15-8-14-12(7-13(16)17)11-6-2-4-9-3-1-5-10(9)11/h8-9H,1-7,10-13H2,(H,17,18);2,4,6,8,12H,1,3,5,7H2,(H,14,15)(H,16,17).
What are the key properties of 3-(2,3-dihydro-1H-inden-4-yl)-3-formamidopropanoic acid;7-(3-piperidin-1-ylpropyl)-1,2,3,4-tetrahydro-1,8-naphthyridine?
3-(2,3-dihydro-1H-inden-4-yl)-3-formamidopropanoic acid;7-(3-piperidin-1-ylpropyl)-1,2,3,4-tetrahydro-1,8-naphthyridine has a molecular weight of 492.66 g/mol, XLogP of 4.30, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-4-yl)-3-formamidopropanoic acid;7-(3-piperidin-1-ylpropyl)-1,2,3,4-tetrahydro-1,8-naphthyridine is sourced from PubChem (CID 165121202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).