2-(3,4-dihydro-2H-chromen-4-ylamino)-4,6-dimethylpyridine-3-carbonitrile

C17H17N3O — CID 60724407

IUPAC2-(3,4-dihydro-2H-chromen-4-ylamino)-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(NC2CCOc3ccccc32)n1
InChIInChI=1S/C17H17N3O/c1-11-9-12(2)19-17(14(11)10-18)20-15-7-8-21-16-6-4-3-5-13(15)16/h3-6,9,15H,7-8H2,1-2H3,(H,19,20)
InChIKeyUYWJWDBFGLNAOK-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.51
Rot. Bonds2

About 2-(3,4-dihydro-2H-chromen-4-ylamino)-4,6-dimethylpyridine-3-carbonitrile

2-(3,4-dihydro-2H-chromen-4-ylamino)-4,6-dimethylpyridine-3-carbonitrile (PubChem CID 60724407) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-4-ylamino)-4,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-4-ylamino)-4,6-dimethylpyridine-3-carbonitrile
PubChem CID60724407
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name2-(3,4-dihydro-2H-chromen-4-ylamino)-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(NC2CCOc3ccccc32)n1
InChIInChI=1S/C17H17N3O/c1-11-9-12(2)19-17(14(11)10-18)20-15-7-8-21-16-6-4-3-5-13(15)16/h3-6,9,15H,7-8H2,1-2H3,(H,19,20)
InChIKeyUYWJWDBFGLNAOK-UHFFFAOYSA-N
XLogP3.51
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(3,4-dihydro-2H-chromen-4-yl)-6-methylpyrimidine-2,4-diamine
CID 102556283
2-chloro-6-(3,4-dihydro-2H-chromen-4-ylamino)pyridine-4-carbonitrile
CID 83077158
N-(4-bromo-3,5-dimethylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 107571684
4-N-(3,4-dihydro-2H-chromen-4-yl)-6-N-methylpyrimidine-2,4,6-triamine
CID 80827118
2-(3,4-dihydro-2H-chromen-4-ylamino)-4-methoxybenzonitrile
CID 81296353
N-(3,4-dihydro-2H-chromen-4-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686441
3-(2,3-dihydro-1-benzofuran-3-ylamino)-5,6-dimethylpyridazine-4-carbonitrile
CID 62065580
2-(3,4-dihydro-2H-chromen-4-ylamino)acetonitrile
CID 62367299
N-(3,4-dihydro-2H-chromen-4-yl)-5-methylpyridin-3-amine
CID 103932297
1-N-(3,4-dihydro-2H-chromen-4-yl)-2-methylbenzene-1,4-diamine
CID 62364894
N-(4-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43195976
5-bromo-2-(3,4-dihydro-2H-chromen-4-ylamino)benzonitrile
CID 82707909

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-4-ylamino)-4,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-4-ylamino)-4,6-dimethylpyridine-3-carbonitrile (CID 60724407) is 2-(3,4-dihydro-2H-chromen-4-ylamino)-4,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-4-ylamino)-4,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-4-ylamino)-4,6-dimethylpyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(NC2CCOc3ccccc32)n1.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-4-ylamino)-4,6-dimethylpyridine-3-carbonitrile?
The InChIKey is UYWJWDBFGLNAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-11-9-12(2)19-17(14(11)10-18)20-15-7-8-21-16-6-4-3-5-13(15)16/h3-6,9,15H,7-8H2,1-2H3,(H,19,20).
What are the key properties of 2-(3,4-dihydro-2H-chromen-4-ylamino)-4,6-dimethylpyridine-3-carbonitrile?
2-(3,4-dihydro-2H-chromen-4-ylamino)-4,6-dimethylpyridine-3-carbonitrile has a molecular weight of 279.34 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-chromen-4-ylamino)-4,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 60724407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).