ethane;methanamine;4-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzoic acid

C26H37N5O2 — CID 142467350

IUPACethane;methanamine;4-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzoic acid
SMILESCC.CN.O=C(O)c1ccc(-c2cc(NCCCN3CCCCC3)c3cnccc3n2)cc1
InChIInChI=1S/C23H26N4O2.C2H6.CH5N/c28-23(29)18-7-5-17(6-8-18)21-15-22(19-16-24-11-9-20(19)26-21)25-10-4-14-27-12-2-1-3-13-27;2*1-2/h5-9,11,15-16H,1-4,10,12-14H2,(H,25,26)(H,28,29);1-2H3;2H2,1H3
InChIKeyJONMMZIVPAIFPP-UHFFFAOYSA-N
MW451.62 g/mol
LogP4.88
Rot. Bonds7

About ethane;methanamine;4-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzoic acid

ethane;methanamine;4-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzoic acid (PubChem CID 142467350) has the molecular formula C26H37N5O2 and a molecular weight of 451.62 g/mol. Its IUPAC name is ethane;methanamine;4-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzoic acid.

Molecular Properties

Compound Nameethane;methanamine;4-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzoic acid
PubChem CID142467350
Molecular FormulaC26H37N5O2
Molecular Weight451.62 g/mol
Exact Mass451.29
IUPAC Nameethane;methanamine;4-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzoic acid
SMILESCC.CN.O=C(O)c1ccc(-c2cc(NCCCN3CCCCC3)c3cnccc3n2)cc1
InChIInChI=1S/C23H26N4O2.C2H6.CH5N/c28-23(29)18-7-5-17(6-8-18)21-15-22(19-16-24-11-9-20(19)26-21)25-10-4-14-27-12-2-1-3-13-27;2*1-2/h5-9,11,15-16H,1-4,10,12-14H2,(H,25,26)(H,28,29);1-2H3;2H2,1H3
InChIKeyJONMMZIVPAIFPP-UHFFFAOYSA-N
XLogP4.88
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.62
LogP ≤ 54.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethane;methanamine;4-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzoic acid 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

2-(Pyridin-4-yl)quinoline-4-carboxylic acid
CID 26587
Cinchoninic acid, 2-(3-pyridyl)-
CID 24067
4-[3-[5-oxo-4-(quinolin-5-ylamino)-7,8-dihydro-6H-1,6-naphthyridin-2-yl]phenyl]benzoic acid
CID 53494803
8-Methyl-2-pyridin-3-ylquinoline-4-carboxylic acid
CID 3768281
Cinchoninic acid, 6-methyl-2-(3-pyridyl)-
CID 21187
2-([1,1'-Biphenyl]-4-yl)-3-methyl-1,7-naphthyridine-4-carboxylic acid
CID 133107895
AMPD2 Inhibitor
CID 91970656
6-(4-Carboxyphenyl)-8-(3-cyanophenyl)-1,7-naphthyridine
CID 9928390
5-(4-Fluorophenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid
CID 25252842
5-(3-Fluorophenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid
CID 25252992
5-(2-Fluorophenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid
CID 25252995
5-Phenylbenzo[c][2,6]naphthyridine-8-carboxylic acid
CID 25253303

Frequently Asked Questions

What is the IUPAC name of ethane;methanamine;4-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzoic acid?
The IUPAC name of ethane;methanamine;4-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzoic acid (CID 142467350) is ethane;methanamine;4-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzoic acid.
What is the SMILES notation for ethane;methanamine;4-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzoic acid?
The canonical SMILES for ethane;methanamine;4-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzoic acid is CC.CN.O=C(O)c1ccc(-c2cc(NCCCN3CCCCC3)c3cnccc3n2)cc1.
What is the InChIKey of ethane;methanamine;4-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzoic acid?
The InChIKey is JONMMZIVPAIFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2.C2H6.CH5N/c28-23(29)18-7-5-17(6-8-18)21-15-22(19-16-24-11-9-20(19)26-21)25-10-4-14-27-12-2-1-3-13-27;2*1-2/h5-9,11,15-16H,1-4,10,12-14H2,(H,25,26)(H,28,29);1-2H3;2H2,1H3.
What are the key properties of ethane;methanamine;4-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzoic acid?
ethane;methanamine;4-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzoic acid has a molecular weight of 451.62 g/mol, XLogP of 4.88, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methanamine;4-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzoic acid is sourced from PubChem (CID 142467350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).