2-(3,4-dihydro-2H-chromen-3-ylmethylamino)pyridine-3-carbonitrile

C16H15N3O — CID 47115313

IUPAC2-(3,4-dihydro-2H-chromen-3-ylmethylamino)pyridine-3-carbonitrile
SMILESN#Cc1cccnc1NCC1COc2ccccc2C1
InChIInChI=1S/C16H15N3O/c17-9-14-5-3-7-18-16(14)19-10-12-8-13-4-1-2-6-15(13)20-11-12/h1-7,12H,8,10-11H2,(H,18,19)
InChIKeyCTLIGMRTSBRJSS-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.62
Rot. Bonds3

About 2-(3,4-dihydro-2H-chromen-3-ylmethylamino)pyridine-3-carbonitrile

2-(3,4-dihydro-2H-chromen-3-ylmethylamino)pyridine-3-carbonitrile (PubChem CID 47115313) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-3-ylmethylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-3-ylmethylamino)pyridine-3-carbonitrile
PubChem CID47115313
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name2-(3,4-dihydro-2H-chromen-3-ylmethylamino)pyridine-3-carbonitrile
SMILESN#Cc1cccnc1NCC1COc2ccccc2C1
InChIInChI=1S/C16H15N3O/c17-9-14-5-3-7-18-16(14)19-10-12-8-13-4-1-2-6-15(13)20-11-12/h1-7,12H,8,10-11H2,(H,18,19)
InChIKeyCTLIGMRTSBRJSS-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(thian-4-ylmethylamino)pyridine-3-carbonitrile
CID 115625296
3,4-dihydro-2H-chromen-3-ylmethylhydrazine
CID 63589103
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]pyridine-2-carboxamide
CID 99779688
3-cyano-N-(3,4-dihydro-2H-chromen-3-ylmethyl)benzenesulfonamide
CID 51238144
2-[(2-hydroxyphenyl)methylamino]pyridine-3-carbonitrile
CID 113228777
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-pyridin-2-ylsulfanylbenzamide
CID 51129710
5-amino-2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)pyridine-3-carbonitrile
CID 62233190
5-chloro-4-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methylamino]-1H-pyridazin-6-one
CID 94177097
2-[4-(3,4-dihydro-2H-chromene-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 72844348
2-(2,2,2-trifluoroethylamino)pyridine-3-carbonitrile
CID 24690844
2-(4-cyanophenyl)sulfanyl-N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]acetamide
CID 95160669
N-(3,4-dihydro-2H-chromen-3-ylmethyl)pyrazine-2-carboxamide
CID 47115544

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-3-ylmethylamino)pyridine-3-carbonitrile?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-3-ylmethylamino)pyridine-3-carbonitrile (CID 47115313) is 2-(3,4-dihydro-2H-chromen-3-ylmethylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-3-ylmethylamino)pyridine-3-carbonitrile?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-3-ylmethylamino)pyridine-3-carbonitrile is N#Cc1cccnc1NCC1COc2ccccc2C1.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-3-ylmethylamino)pyridine-3-carbonitrile?
The InChIKey is CTLIGMRTSBRJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c17-9-14-5-3-7-18-16(14)19-10-12-8-13-4-1-2-6-15(13)20-11-12/h1-7,12H,8,10-11H2,(H,18,19).
What are the key properties of 2-(3,4-dihydro-2H-chromen-3-ylmethylamino)pyridine-3-carbonitrile?
2-(3,4-dihydro-2H-chromen-3-ylmethylamino)pyridine-3-carbonitrile has a molecular weight of 265.32 g/mol, XLogP of 2.62, 3 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-3-ylmethylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 47115313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).