6-[4-[2-(dimethylamino)ethyl]anilino]pyridine-2-carbonitrile

C16H18N4 — CID 133392490

IUPAC6-[4-[2-(dimethylamino)ethyl]anilino]pyridine-2-carbonitrile
SMILESCN(C)CCc1ccc(Nc2cccc(C#N)n2)cc1
InChIInChI=1S/C16H18N4/c1-20(2)11-10-13-6-8-14(9-7-13)18-16-5-3-4-15(12-17)19-16/h3-9H,10-11H2,1-2H3,(H,18,19)
InChIKeyZCMGQSPOGJWDTM-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.80
Rot. Bonds5

About 6-[4-[2-(dimethylamino)ethyl]anilino]pyridine-2-carbonitrile

6-[4-[2-(dimethylamino)ethyl]anilino]pyridine-2-carbonitrile (PubChem CID 133392490) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 6-[4-[2-(dimethylamino)ethyl]anilino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[4-[2-(dimethylamino)ethyl]anilino]pyridine-2-carbonitrile
PubChem CID133392490
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name6-[4-[2-(dimethylamino)ethyl]anilino]pyridine-2-carbonitrile
SMILESCN(C)CCc1ccc(Nc2cccc(C#N)n2)cc1
InChIInChI=1S/C16H18N4/c1-20(2)11-10-13-6-8-14(9-7-13)18-16-5-3-4-15(12-17)19-16/h3-9H,10-11H2,1-2H3,(H,18,19)
InChIKeyZCMGQSPOGJWDTM-UHFFFAOYSA-N
XLogP2.80
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-tert-butylanilino)pyridine-2-carbonitrile
CID 64588460
6-(4-methylanilino)pyridine-2-carbonitrile
CID 64593514
methyl N-[4-[(6-cyano-2-pyridinyl)amino]phenyl]carbamate
CID 133392173
6-[4-(2,2,2-trifluoroethoxy)anilino]pyridine-2-carbonitrile
CID 133391829
6-[4-[(3-cyanophenyl)methoxy]anilino]pyridine-2-carbonitrile
CID 133392430
6-(pyrimidin-5-ylamino)pyridine-2-carbonitrile
CID 107588709
6-(3-iodo-4-methylanilino)pyridine-2-carbonitrile
CID 114257431
6-(3,5-difluoroanilino)pyridine-2-carbonitrile
CID 64595862
6-(3,5-dimethoxyanilino)pyridine-2-carbonitrile
CID 64590042
6-[3-(ethylsulfanylmethyl)anilino]pyridine-2-carbonitrile
CID 133392674
6-[(6-methoxy-3-pyridinyl)amino]pyridine-2-carbonitrile
CID 64590247
methyl 4-[4-[(6-cyano-2-pyridinyl)amino]phenoxy]butanoate
CID 133392532

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-(dimethylamino)ethyl]anilino]pyridine-2-carbonitrile?
The IUPAC name of 6-[4-[2-(dimethylamino)ethyl]anilino]pyridine-2-carbonitrile (CID 133392490) is 6-[4-[2-(dimethylamino)ethyl]anilino]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[4-[2-(dimethylamino)ethyl]anilino]pyridine-2-carbonitrile?
The canonical SMILES for 6-[4-[2-(dimethylamino)ethyl]anilino]pyridine-2-carbonitrile is CN(C)CCc1ccc(Nc2cccc(C#N)n2)cc1.
What is the InChIKey of 6-[4-[2-(dimethylamino)ethyl]anilino]pyridine-2-carbonitrile?
The InChIKey is ZCMGQSPOGJWDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-20(2)11-10-13-6-8-14(9-7-13)18-16-5-3-4-15(12-17)19-16/h3-9H,10-11H2,1-2H3,(H,18,19).
What are the key properties of 6-[4-[2-(dimethylamino)ethyl]anilino]pyridine-2-carbonitrile?
6-[4-[2-(dimethylamino)ethyl]anilino]pyridine-2-carbonitrile has a molecular weight of 266.35 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-(dimethylamino)ethyl]anilino]pyridine-2-carbonitrile is sourced from PubChem (CID 133392490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).