2-hydroxybenzoic acid;N-(3-methylphenyl)-N-(3-morpholin-4-ylpropyl)pyridin-4-amine

C26H31N3O4 — CID 3042227

IUPAC2-hydroxybenzoic acid;N-(3-methylphenyl)-N-(3-morpholin-4-ylpropyl)pyridin-4-amine
SMILESCc1cccc(N(CCCN2CCOCC2)c2ccncc2)c1.O=C(O)c1ccccc1O
InChIInChI=1S/C19H25N3O.C7H6O3/c1-17-4-2-5-19(16-17)22(18-6-8-20-9-7-18)11-3-10-21-12-14-23-15-13-21;8-6-4-2-1-3-5(6)7(9)10/h2,4-9,16H,3,10-15H2,1H3;1-4,8H,(H,9,10)
InChIKeyOBGQNYRWOHVVGY-UHFFFAOYSA-N
MW449.55 g/mol
LogP4.34
Rot. Bonds7

About 2-hydroxybenzoic acid;N-(3-methylphenyl)-N-(3-morpholin-4-ylpropyl)pyridin-4-amine

2-hydroxybenzoic acid;N-(3-methylphenyl)-N-(3-morpholin-4-ylpropyl)pyridin-4-amine (PubChem CID 3042227) has the molecular formula C26H31N3O4 and a molecular weight of 449.55 g/mol. Its IUPAC name is 2-hydroxybenzoic acid;N-(3-methylphenyl)-N-(3-morpholin-4-ylpropyl)pyridin-4-amine.

Molecular Properties

Compound Name2-hydroxybenzoic acid;N-(3-methylphenyl)-N-(3-morpholin-4-ylpropyl)pyridin-4-amine
PubChem CID3042227
Molecular FormulaC26H31N3O4
Molecular Weight449.55 g/mol
Exact Mass449.23
IUPAC Name2-hydroxybenzoic acid;N-(3-methylphenyl)-N-(3-morpholin-4-ylpropyl)pyridin-4-amine
SMILESCc1cccc(N(CCCN2CCOCC2)c2ccncc2)c1.O=C(O)c1ccccc1O
InChIInChI=1S/C19H25N3O.C7H6O3/c1-17-4-2-5-19(16-17)22(18-6-8-20-9-7-18)11-3-10-21-12-14-23-15-13-21;8-6-4-2-1-3-5(6)7(9)10/h2,4-9,16H,3,10-15H2,1H3;1-4,8H,(H,9,10)
InChIKeyOBGQNYRWOHVVGY-UHFFFAOYSA-N
XLogP4.34
TPSA86.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.55
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-hydroxybenzoic acid;N-(3-methylphenyl)-N-(3-morpholin-4-ylpropyl)pyridin-4-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-hydroxybenzoic acid;N-(3-methylphenyl)-N-(3-morpholin-4-ylpropyl)pyridin-4-amine?
The IUPAC name of 2-hydroxybenzoic acid;N-(3-methylphenyl)-N-(3-morpholin-4-ylpropyl)pyridin-4-amine (CID 3042227) is 2-hydroxybenzoic acid;N-(3-methylphenyl)-N-(3-morpholin-4-ylpropyl)pyridin-4-amine.
What is the SMILES notation for 2-hydroxybenzoic acid;N-(3-methylphenyl)-N-(3-morpholin-4-ylpropyl)pyridin-4-amine?
The canonical SMILES for 2-hydroxybenzoic acid;N-(3-methylphenyl)-N-(3-morpholin-4-ylpropyl)pyridin-4-amine is Cc1cccc(N(CCCN2CCOCC2)c2ccncc2)c1.O=C(O)c1ccccc1O.
What is the InChIKey of 2-hydroxybenzoic acid;N-(3-methylphenyl)-N-(3-morpholin-4-ylpropyl)pyridin-4-amine?
The InChIKey is OBGQNYRWOHVVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O.C7H6O3/c1-17-4-2-5-19(16-17)22(18-6-8-20-9-7-18)11-3-10-21-12-14-23-15-13-21;8-6-4-2-1-3-5(6)7(9)10/h2,4-9,16H,3,10-15H2,1H3;1-4,8H,(H,9,10).
What are the key properties of 2-hydroxybenzoic acid;N-(3-methylphenyl)-N-(3-morpholin-4-ylpropyl)pyridin-4-amine?
2-hydroxybenzoic acid;N-(3-methylphenyl)-N-(3-morpholin-4-ylpropyl)pyridin-4-amine has a molecular weight of 449.55 g/mol, XLogP of 4.34, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxybenzoic acid;N-(3-methylphenyl)-N-(3-morpholin-4-ylpropyl)pyridin-4-amine is sourced from PubChem (CID 3042227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).