3-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]pyridine-2-carbonitrile

C16H15N3O — CID 62894751

IUPAC3-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]pyridine-2-carbonitrile
SMILESN#Cc1ncccc1CNC1CCOc2ccccc21
InChIInChI=1S/C16H15N3O/c17-10-15-12(4-3-8-18-15)11-19-14-7-9-20-16-6-2-1-5-13(14)16/h1-6,8,14,19H,7,9,11H2
InChIKeyMXLAAXJXGGVZSE-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.57
Rot. Bonds3

About 3-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]pyridine-2-carbonitrile

3-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]pyridine-2-carbonitrile (PubChem CID 62894751) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 3-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]pyridine-2-carbonitrile
PubChem CID62894751
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name3-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]pyridine-2-carbonitrile
SMILESN#Cc1ncccc1CNC1CCOc2ccccc21
InChIInChI=1S/C16H15N3O/c17-10-15-12(4-3-8-18-15)11-19-14-7-9-20-16-6-2-1-5-13(14)16/h1-6,8,14,19H,7,9,11H2
InChIKeyMXLAAXJXGGVZSE-UHFFFAOYSA-N
XLogP2.57
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]pyridine-2-carbonitrile 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-[(2-methylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 43221297
2-(3,4-dihydro-2H-chromen-4-ylamino)acetonitrile
CID 62367299
3-(3,4-dihydro-2H-chromen-4-ylmethylamino)pyrazine-2-carbonitrile
CID 133293405
N-(1,2,4-oxadiazol-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 106393066
N-(pyrimidin-5-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 62760281
3-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]furan-2-carboxylic acid
CID 103250046
N-(1H-indol-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 60663725
N-[(5-bromo-2-chlorophenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 103792365
N-[(5-methylthiophen-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 43223509
N-(cyclopropylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 43190759
N-[(2-bromo-5-fluorophenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 61015894
2-N-(3,4-dihydro-2H-chromen-4-yl)pyridine-2,3-diamine
CID 62366962

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]pyridine-2-carbonitrile?
The IUPAC name of 3-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]pyridine-2-carbonitrile (CID 62894751) is 3-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]pyridine-2-carbonitrile is N#Cc1ncccc1CNC1CCOc2ccccc21.
What is the InChIKey of 3-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]pyridine-2-carbonitrile?
The InChIKey is MXLAAXJXGGVZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c17-10-15-12(4-3-8-18-15)11-19-14-7-9-20-16-6-2-1-5-13(14)16/h1-6,8,14,19H,7,9,11H2.
What are the key properties of 3-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]pyridine-2-carbonitrile?
3-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]pyridine-2-carbonitrile has a molecular weight of 265.32 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 62894751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).