(3R)-3-(6-methoxy-3-pyridinyl)-9-[6-(methylamino)-2-pyridinyl]nonanoic acid

C21H29N3O3 — CID 70191089

IUPAC(3R)-3-(6-methoxy-3-pyridinyl)-9-[6-(methylamino)-2-pyridinyl]nonanoic acid
SMILESCNc1cccc(CCCCCC[C@H](CC(=O)O)c2ccc(OC)nc2)n1
InChIInChI=1S/C21H29N3O3/c1-22-19-11-7-10-18(24-19)9-6-4-3-5-8-16(14-21(25)26)17-12-13-20(27-2)23-15-17/h7,10-13,15-16H,3-6,8-9,14H2,1-2H3,(H,22,24)(H,25,26)/t16-/m1/s1
InChIKeyRZEZFXHVGHLDQK-MRXNPFEDSA-N
MW371.48 g/mol
LogP4.28
Rot. Bonds12

About (3R)-3-(6-methoxy-3-pyridinyl)-9-[6-(methylamino)-2-pyridinyl]nonanoic acid

(3R)-3-(6-methoxy-3-pyridinyl)-9-[6-(methylamino)-2-pyridinyl]nonanoic acid (PubChem CID 70191089) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is (3R)-3-(6-methoxy-3-pyridinyl)-9-[6-(methylamino)-2-pyridinyl]nonanoic acid.

Molecular Properties

Compound Name(3R)-3-(6-methoxy-3-pyridinyl)-9-[6-(methylamino)-2-pyridinyl]nonanoic acid
PubChem CID70191089
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name(3R)-3-(6-methoxy-3-pyridinyl)-9-[6-(methylamino)-2-pyridinyl]nonanoic acid
SMILESCNc1cccc(CCCCCC[C@H](CC(=O)O)c2ccc(OC)nc2)n1
InChIInChI=1S/C21H29N3O3/c1-22-19-11-7-10-18(24-19)9-6-4-3-5-8-16(14-21(25)26)17-12-13-20(27-2)23-15-17/h7,10-13,15-16H,3-6,8-9,14H2,1-2H3,(H,22,24)(H,25,26)/t16-/m1/s1
InChIKeyRZEZFXHVGHLDQK-MRXNPFEDSA-N
XLogP4.28
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3R)-3-(6-methoxy-3-pyridinyl)-9-[6-(methylamino)-2-pyridinyl]nonanoic acid with MolForge

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Related Compounds

3-(6-ethoxy-3-pyridinyl)-9-[6-(ethylamino)-2-pyridinyl]nonanoic acid
CID 70188998
(3S)-3-amino-3-(6-methoxy-3-pyridinyl)propanoic acid
CID 7016830
3-amino-3-(6-methoxy-3-pyridinyl)propanoic acid
CID 18000263
4-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]pentanoic acid
CID 142102612
3-[5-[2-[6-(methylamino)-2-pyridinyl]ethoxy]-1H-indol-2-yl]hexanoic acid
CID 90903976
(3S)-3-(6-methoxy-3-pyridinyl)-6-[(3S,5R)-5-methyl-2-oxo-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethylamino)pyrrolidin-1-yl]hexanoic acid
CID 59899141
3-(diethylamino)-3-(6-methoxy-3-pyridinyl)propanoic acid
CID 114938682
4,4,4-trifluoro-3-(6-methoxy-3-pyridinyl)butanoic acid
CID 114938498
(3S)-3-[6-[2-[2-[2-(3-cyclopropylpropoxy)ethoxy]ethoxy]ethoxy]-3-pyridinyl]-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid
CID 154643302
3-[5-[2-[6-(methylamino)-2-pyridinyl]ethoxy]indol-1-yl]octanoic acid
CID 142158782
9-[6-amino-5-cyclopropyl-2-(methylamino)pyrimidin-4-yl]-3-(2-methoxypyrimidin-5-yl)nonanoic acid
CID 20622471
3-(3-methoxyphenyl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid
CID 20691520

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(6-methoxy-3-pyridinyl)-9-[6-(methylamino)-2-pyridinyl]nonanoic acid?
The IUPAC name of (3R)-3-(6-methoxy-3-pyridinyl)-9-[6-(methylamino)-2-pyridinyl]nonanoic acid (CID 70191089) is (3R)-3-(6-methoxy-3-pyridinyl)-9-[6-(methylamino)-2-pyridinyl]nonanoic acid.
What is the SMILES notation for (3R)-3-(6-methoxy-3-pyridinyl)-9-[6-(methylamino)-2-pyridinyl]nonanoic acid?
The canonical SMILES for (3R)-3-(6-methoxy-3-pyridinyl)-9-[6-(methylamino)-2-pyridinyl]nonanoic acid is CNc1cccc(CCCCCC[C@H](CC(=O)O)c2ccc(OC)nc2)n1.
What is the InChIKey of (3R)-3-(6-methoxy-3-pyridinyl)-9-[6-(methylamino)-2-pyridinyl]nonanoic acid?
The InChIKey is RZEZFXHVGHLDQK-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-22-19-11-7-10-18(24-19)9-6-4-3-5-8-16(14-21(25)26)17-12-13-20(27-2)23-15-17/h7,10-13,15-16H,3-6,8-9,14H2,1-2H3,(H,22,24)(H,25,26)/t16-/m1/s1.
What are the key properties of (3R)-3-(6-methoxy-3-pyridinyl)-9-[6-(methylamino)-2-pyridinyl]nonanoic acid?
(3R)-3-(6-methoxy-3-pyridinyl)-9-[6-(methylamino)-2-pyridinyl]nonanoic acid has a molecular weight of 371.48 g/mol, XLogP of 4.28, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(6-methoxy-3-pyridinyl)-9-[6-(methylamino)-2-pyridinyl]nonanoic acid is sourced from PubChem (CID 70191089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).