9-(8-methyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-2-yl)nonanoic acid

C19H30N2O2 — CID 142077549

IUPAC9-(8-methyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-2-yl)nonanoic acid
SMILESCC1CCCc2ccc(CCCCCCCCC(=O)O)nc2N1
InChIInChI=1S/C19H30N2O2/c1-15-9-8-10-16-13-14-17(21-19(16)20-15)11-6-4-2-3-5-7-12-18(22)23/h13-15H,2-12H2,1H3,(H,20,21)(H,22,23)
InChIKeyCFFGWSPRCHGCQU-UHFFFAOYSA-N
MW318.46 g/mol
LogP4.58
Rot. Bonds9

About 9-(8-methyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-2-yl)nonanoic acid

9-(8-methyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-2-yl)nonanoic acid (PubChem CID 142077549) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 9-(8-methyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-2-yl)nonanoic acid.

Molecular Properties

Compound Name9-(8-methyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-2-yl)nonanoic acid
PubChem CID142077549
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name9-(8-methyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-2-yl)nonanoic acid
SMILESCC1CCCc2ccc(CCCCCCCCC(=O)O)nc2N1
InChIInChI=1S/C19H30N2O2/c1-15-9-8-10-16-13-14-17(21-19(16)20-15)11-6-4-2-3-5-7-12-18(22)23/h13-15H,2-12H2,1H3,(H,20,21)(H,22,23)
InChIKeyCFFGWSPRCHGCQU-UHFFFAOYSA-N
XLogP4.58
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[3-[3-(8-methyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-2-yl)propyl]-2-oxoimidazolidin-1-yl]propanoic acid
CID 142076914
2-(7-methyl-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethanol
CID 134511081
2-methylpyrimidine;9-(7-nitroso-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid
CID 142124946
4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoic acid;trihydrochloride
CID 169448886
4-[cyclopropyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]butanoic acid
CID 139467801
3-hydroxy-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid
CID 90338346
3-[acetyl-[1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]azetidin-3-yl]amino]propanoic acid
CID 134514783
(2S)-2-[[(2R,5R)-2,5-dimethylpyrrolidine-1-carbonyl]amino]-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid
CID 146483588
7-(8,8-difluoro-6-methylideneoctyl)-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 139473822
3-phenyl-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoylamino]propanoic acid
CID 75002097
10-(6-methyl-2-pyridinyl)decanoic acid
CID 151281949
3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentoxy]pyrrolidine-1-carboxylic acid
CID 172704218

Frequently Asked Questions

What is the IUPAC name of 9-(8-methyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-2-yl)nonanoic acid?
The IUPAC name of 9-(8-methyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-2-yl)nonanoic acid (CID 142077549) is 9-(8-methyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-2-yl)nonanoic acid.
What is the SMILES notation for 9-(8-methyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-2-yl)nonanoic acid?
The canonical SMILES for 9-(8-methyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-2-yl)nonanoic acid is CC1CCCc2ccc(CCCCCCCCC(=O)O)nc2N1.
What is the InChIKey of 9-(8-methyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-2-yl)nonanoic acid?
The InChIKey is CFFGWSPRCHGCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-15-9-8-10-16-13-14-17(21-19(16)20-15)11-6-4-2-3-5-7-12-18(22)23/h13-15H,2-12H2,1H3,(H,20,21)(H,22,23).
What are the key properties of 9-(8-methyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-2-yl)nonanoic acid?
9-(8-methyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-2-yl)nonanoic acid has a molecular weight of 318.46 g/mol, XLogP of 4.58, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(8-methyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-2-yl)nonanoic acid is sourced from PubChem (CID 142077549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).