8-(6-carboxypiperidin-2-yl)-3,4,9,10,10a,11-hexahydro-2H-pyrido[1,2-g][1,6]naphthyridine-2-carboxylic acid

C19H25N3O4 — CID 45274331

IUPAC8-(6-carboxypiperidin-2-yl)-3,4,9,10,10a,11-hexahydro-2H-pyrido[1,2-g][1,6]naphthyridine-2-carboxylic acid
SMILESO=C(O)C1CCC2=CN3C=C(C4CCCC(C(=O)O)N4)CCC3CC2=N1
InChIInChI=1S/C19H25N3O4/c23-18(24)15-3-1-2-14(20-15)11-4-6-13-8-17-12(10-22(13)9-11)5-7-16(21-17)19(25)26/h9-10,13-16,20H,1-8H2,(H,23,24)(H,25,26)
InChIKeyDNOGZSXAISPPHW-UHFFFAOYSA-N
MW359.43 g/mol
LogP1.91
Rot. Bonds3

About 8-(6-carboxypiperidin-2-yl)-3,4,9,10,10a,11-hexahydro-2H-pyrido[1,2-g][1,6]naphthyridine-2-carboxylic acid

8-(6-carboxypiperidin-2-yl)-3,4,9,10,10a,11-hexahydro-2H-pyrido[1,2-g][1,6]naphthyridine-2-carboxylic acid (PubChem CID 45274331) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is 8-(6-carboxypiperidin-2-yl)-3,4,9,10,10a,11-hexahydro-2H-pyrido[1,2-g][1,6]naphthyridine-2-carboxylic acid.

Molecular Properties

Compound Name8-(6-carboxypiperidin-2-yl)-3,4,9,10,10a,11-hexahydro-2H-pyrido[1,2-g][1,6]naphthyridine-2-carboxylic acid
PubChem CID45274331
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Name8-(6-carboxypiperidin-2-yl)-3,4,9,10,10a,11-hexahydro-2H-pyrido[1,2-g][1,6]naphthyridine-2-carboxylic acid
SMILESO=C(O)C1CCC2=CN3C=C(C4CCCC(C(=O)O)N4)CCC3CC2=N1
InChIInChI=1S/C19H25N3O4/c23-18(24)15-3-1-2-14(20-15)11-4-6-13-8-17-12(10-22(13)9-11)5-7-16(21-17)19(25)26/h9-10,13-16,20H,1-8H2,(H,23,24)(H,25,26)
InChIKeyDNOGZSXAISPPHW-UHFFFAOYSA-N
XLogP1.91
TPSA102.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 8-(6-carboxypiperidin-2-yl)-3,4,9,10,10a,11-hexahydro-2H-pyrido[1,2-g][1,6]naphthyridine-2-carboxylic 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

Aldosine
CID 57357510
(3S,8S,11aS,11bS)-5-[(3S)-3-amino-3-carboxypropyl]-2,3,8,9,10,11,11a,11b-octahydro-1H-pyrido[2,1-f][1,6]naphthyridine-3,8-dicarboxylic acid
CID 102044275
(3S,11aR,11bR)-5-[(3S)-3-amino-3-carboxypropyl]-2,3,8,9,10,11,11a,11b-octahydro-1H-pyrido[2,1-f][1,6]naphthyridine-3-carboxylic acid
CID 102166037
(3S,11aS,11bS)-5-[(3S)-3-amino-3-carboxypropyl]-2,3,8,9,10,11,11a,11b-octahydro-1H-pyrido[2,1-f][1,6]naphthyridine-3-carboxylic acid
CID 102166038
(3S,11aR,11bS)-5-[(3S)-3-amino-3-carboxypropyl]-2,3,8,9,10,11,11a,11b-octahydro-1H-pyrido[2,1-f][1,6]naphthyridine-3-carboxylic acid
CID 102166039
(3S,11aS,11bR)-5-[(3S)-3-amino-3-carboxypropyl]-2,3,8,9,10,11,11a,11b-octahydro-1H-pyrido[2,1-f][1,6]naphthyridine-3-carboxylic acid
CID 102166040
(8R,11aR,11bS)-5-[(3R)-3-amino-3-carboxypropyl]-2,3,8,9,10,11,11a,11b-octahydro-1H-pyrido[2,1-f][1,6]naphthyridine-8-carboxylic acid
CID 162967995
Oryzamutaic acid A
CID 163027958
(8S,11aS,11bR)-5-[(3S)-3-amino-3-carboxypropyl]-2,3,8,9,10,11,11a,11b-octahydro-1H-pyrido[2,1-f][1,6]naphthyridine-8-carboxylic acid
CID 102044277
5-(3-amino-3-carboxypropyl)-9-(6-carboxypiperidin-2-yl)-2,3,10,11,11a,11b-hexahydro-1H-pyrido[2,1-f][1,6]naphthyridine-3-carboxylic acid
CID 45274233
5-(3-amino-3-carboxypropyl)-2,3,8,9,10,11,11a,11b-octahydro-1H-pyrido[2,1-f][1,6]naphthyridine-3-carboxylic acid
CID 45274235
11-(5-amino-5-carboxypentyl)-5-(3-amino-3-carboxypropyl)-2,3,8,9,10,11,11a,11b-octahydro-1H-pyrido[2,1-f][1,6]naphthyridine-3-carboxylic acid
CID 45274236

Frequently Asked Questions

What is the IUPAC name of 8-(6-carboxypiperidin-2-yl)-3,4,9,10,10a,11-hexahydro-2H-pyrido[1,2-g][1,6]naphthyridine-2-carboxylic acid?
The IUPAC name of 8-(6-carboxypiperidin-2-yl)-3,4,9,10,10a,11-hexahydro-2H-pyrido[1,2-g][1,6]naphthyridine-2-carboxylic acid (CID 45274331) is 8-(6-carboxypiperidin-2-yl)-3,4,9,10,10a,11-hexahydro-2H-pyrido[1,2-g][1,6]naphthyridine-2-carboxylic acid.
What is the SMILES notation for 8-(6-carboxypiperidin-2-yl)-3,4,9,10,10a,11-hexahydro-2H-pyrido[1,2-g][1,6]naphthyridine-2-carboxylic acid?
The canonical SMILES for 8-(6-carboxypiperidin-2-yl)-3,4,9,10,10a,11-hexahydro-2H-pyrido[1,2-g][1,6]naphthyridine-2-carboxylic acid is O=C(O)C1CCC2=CN3C=C(C4CCCC(C(=O)O)N4)CCC3CC2=N1.
What is the InChIKey of 8-(6-carboxypiperidin-2-yl)-3,4,9,10,10a,11-hexahydro-2H-pyrido[1,2-g][1,6]naphthyridine-2-carboxylic acid?
The InChIKey is DNOGZSXAISPPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c23-18(24)15-3-1-2-14(20-15)11-4-6-13-8-17-12(10-22(13)9-11)5-7-16(21-17)19(25)26/h9-10,13-16,20H,1-8H2,(H,23,24)(H,25,26).
What are the key properties of 8-(6-carboxypiperidin-2-yl)-3,4,9,10,10a,11-hexahydro-2H-pyrido[1,2-g][1,6]naphthyridine-2-carboxylic acid?
8-(6-carboxypiperidin-2-yl)-3,4,9,10,10a,11-hexahydro-2H-pyrido[1,2-g][1,6]naphthyridine-2-carboxylic acid has a molecular weight of 359.43 g/mol, XLogP of 1.91, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-carboxypiperidin-2-yl)-3,4,9,10,10a,11-hexahydro-2H-pyrido[1,2-g][1,6]naphthyridine-2-carboxylic acid is sourced from PubChem (CID 45274331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).