7-hydroxy-8-[(pyridin-2-ylmethylamino)methyl]chromen-2-one

C16H14N2O3 — CID 132551355

IUPAC7-hydroxy-8-[(pyridin-2-ylmethylamino)methyl]chromen-2-one
SMILESO=c1ccc2ccc(O)c(CNCc3ccccn3)c2o1
InChIInChI=1S/C16H14N2O3/c19-14-6-4-11-5-7-15(20)21-16(11)13(14)10-17-9-12-3-1-2-8-18-12/h1-8,17,19H,9-10H2
InChIKeyOSPQXWDDMRCOCK-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.18
Rot. Bonds4

About 7-hydroxy-8-[(pyridin-2-ylmethylamino)methyl]chromen-2-one

7-hydroxy-8-[(pyridin-2-ylmethylamino)methyl]chromen-2-one (PubChem CID 132551355) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 7-hydroxy-8-[(pyridin-2-ylmethylamino)methyl]chromen-2-one.

Molecular Properties

Compound Name7-hydroxy-8-[(pyridin-2-ylmethylamino)methyl]chromen-2-one
PubChem CID132551355
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name7-hydroxy-8-[(pyridin-2-ylmethylamino)methyl]chromen-2-one
SMILESO=c1ccc2ccc(O)c(CNCc3ccccn3)c2o1
InChIInChI=1S/C16H14N2O3/c19-14-6-4-11-5-7-15(20)21-16(11)13(14)10-17-9-12-3-1-2-8-18-12/h1-8,17,19H,9-10H2
InChIKeyOSPQXWDDMRCOCK-UHFFFAOYSA-N
XLogP2.18
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze 7-hydroxy-8-[(pyridin-2-ylmethylamino)methyl]chromen-2-one 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

N-(pyridin-2-ylmethyl)-1-[6-[(pyridin-2-ylmethylamino)methyl]-2-pyridinyl]methanamine
CID 564837
zinc;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;dihydrochloride
CID 73345757
1-[[[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]amino]methyl]naphthalen-2-ol
CID 111824301
4-hydroxy-2-oxochromene-3-carboxylic acid;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 174160334
2-[bis(carboxymethyl)amino]-5-[(7-hydroxy-2-oxochromen-8-yl)methylamino]pentanoic acid
CID 73409612
N'-(pyridin-2-ylmethyl)-N-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
CID 12029921
N-[(6-methyl-2-pyridinyl)methyl]-1-pyridin-2-ylmethanamine
CID 15900109
5-[(pyridin-2-ylmethylamino)methyl]furan-2-amine
CID 82344514
N-[(2-chloro-6-nitrophenyl)methyl]-1-pyridin-2-ylmethanamine
CID 63746291
5-[(pyridin-2-ylmethylamino)methyl]thiophene-3-carboxamide
CID 79606263
methyl 5-[(pyridin-2-ylmethylamino)methyl]furan-2-carboxylate
CID 43219093
1-naphthalen-1-yl-N-(pyridin-2-ylmethyl)methanamine
CID 935553

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-8-[(pyridin-2-ylmethylamino)methyl]chromen-2-one?
The IUPAC name of 7-hydroxy-8-[(pyridin-2-ylmethylamino)methyl]chromen-2-one (CID 132551355) is 7-hydroxy-8-[(pyridin-2-ylmethylamino)methyl]chromen-2-one.
What is the SMILES notation for 7-hydroxy-8-[(pyridin-2-ylmethylamino)methyl]chromen-2-one?
The canonical SMILES for 7-hydroxy-8-[(pyridin-2-ylmethylamino)methyl]chromen-2-one is O=c1ccc2ccc(O)c(CNCc3ccccn3)c2o1.
What is the InChIKey of 7-hydroxy-8-[(pyridin-2-ylmethylamino)methyl]chromen-2-one?
The InChIKey is OSPQXWDDMRCOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c19-14-6-4-11-5-7-15(20)21-16(11)13(14)10-17-9-12-3-1-2-8-18-12/h1-8,17,19H,9-10H2.
What are the key properties of 7-hydroxy-8-[(pyridin-2-ylmethylamino)methyl]chromen-2-one?
7-hydroxy-8-[(pyridin-2-ylmethylamino)methyl]chromen-2-one has a molecular weight of 282.30 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-8-[(pyridin-2-ylmethylamino)methyl]chromen-2-one is sourced from PubChem (CID 132551355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).