2-[(1R)-1-[(2-methyl-3-pyridinyl)amino]ethyl]chromen-4-one

C17H16N2O2 — CID 170671066

IUPAC2-[(1R)-1-[(2-methyl-3-pyridinyl)amino]ethyl]chromen-4-one
SMILESCc1ncccc1N[C@H](C)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C17H16N2O2/c1-11-14(7-5-9-18-11)19-12(2)17-10-15(20)13-6-3-4-8-16(13)21-17/h3-10,12,19H,1-2H3/t12-/m1/s1
InChIKeyUADCNDPFYWXSDP-GFCCVEGCSA-N
MW280.33 g/mol
LogP3.67
Rot. Bonds3

About 2-[(1R)-1-[(2-methyl-3-pyridinyl)amino]ethyl]chromen-4-one

2-[(1R)-1-[(2-methyl-3-pyridinyl)amino]ethyl]chromen-4-one (PubChem CID 170671066) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-[(1R)-1-[(2-methyl-3-pyridinyl)amino]ethyl]chromen-4-one.

Molecular Properties

Compound Name2-[(1R)-1-[(2-methyl-3-pyridinyl)amino]ethyl]chromen-4-one
PubChem CID170671066
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name2-[(1R)-1-[(2-methyl-3-pyridinyl)amino]ethyl]chromen-4-one
SMILESCc1ncccc1N[C@H](C)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C17H16N2O2/c1-11-14(7-5-9-18-11)19-12(2)17-10-15(20)13-6-3-4-8-16(13)21-17/h3-10,12,19H,1-2H3/t12-/m1/s1
InChIKeyUADCNDPFYWXSDP-GFCCVEGCSA-N
XLogP3.67
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(1R)-1-[(2-methyl-3-pyridinyl)amino]ethyl]chromen-4-one 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-[(1R)-1-[(2-methyl-3-pyridinyl)amino]ethyl]chromen-4-one?
The IUPAC name of 2-[(1R)-1-[(2-methyl-3-pyridinyl)amino]ethyl]chromen-4-one (CID 170671066) is 2-[(1R)-1-[(2-methyl-3-pyridinyl)amino]ethyl]chromen-4-one.
What is the SMILES notation for 2-[(1R)-1-[(2-methyl-3-pyridinyl)amino]ethyl]chromen-4-one?
The canonical SMILES for 2-[(1R)-1-[(2-methyl-3-pyridinyl)amino]ethyl]chromen-4-one is Cc1ncccc1N[C@H](C)c1cc(=O)c2ccccc2o1.
What is the InChIKey of 2-[(1R)-1-[(2-methyl-3-pyridinyl)amino]ethyl]chromen-4-one?
The InChIKey is UADCNDPFYWXSDP-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-11-14(7-5-9-18-11)19-12(2)17-10-15(20)13-6-3-4-8-16(13)21-17/h3-10,12,19H,1-2H3/t12-/m1/s1.
What are the key properties of 2-[(1R)-1-[(2-methyl-3-pyridinyl)amino]ethyl]chromen-4-one?
2-[(1R)-1-[(2-methyl-3-pyridinyl)amino]ethyl]chromen-4-one has a molecular weight of 280.33 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-[(2-methyl-3-pyridinyl)amino]ethyl]chromen-4-one is sourced from PubChem (CID 170671066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).