3-chloro-6-[[3-[[ethyl(methyl)amino]methyl]phenyl]methylamino]pyridine-2-carbonitrile

C17H19ClN4 — CID 133309541

IUPAC3-chloro-6-[[3-[[ethyl(methyl)amino]methyl]phenyl]methylamino]pyridine-2-carbonitrile
SMILESCCN(C)Cc1cccc(CNc2ccc(Cl)c(C#N)n2)c1
InChIInChI=1S/C17H19ClN4/c1-3-22(2)12-14-6-4-5-13(9-14)11-20-17-8-7-15(18)16(10-19)21-17/h4-9H,3,11-12H2,1-2H3,(H,20,21)
InChIKeyDRXOTIPSDNIXBW-UHFFFAOYSA-N
MW314.82 g/mol
LogP3.67
Rot. Bonds6

About 3-chloro-6-[[3-[[ethyl(methyl)amino]methyl]phenyl]methylamino]pyridine-2-carbonitrile

3-chloro-6-[[3-[[ethyl(methyl)amino]methyl]phenyl]methylamino]pyridine-2-carbonitrile (PubChem CID 133309541) has the molecular formula C17H19ClN4 and a molecular weight of 314.82 g/mol. Its IUPAC name is 3-chloro-6-[[3-[[ethyl(methyl)amino]methyl]phenyl]methylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-chloro-6-[[3-[[ethyl(methyl)amino]methyl]phenyl]methylamino]pyridine-2-carbonitrile
PubChem CID133309541
Molecular FormulaC17H19ClN4
Molecular Weight314.82 g/mol
Exact Mass314.13
IUPAC Name3-chloro-6-[[3-[[ethyl(methyl)amino]methyl]phenyl]methylamino]pyridine-2-carbonitrile
SMILESCCN(C)Cc1cccc(CNc2ccc(Cl)c(C#N)n2)c1
InChIInChI=1S/C17H19ClN4/c1-3-22(2)12-14-6-4-5-13(9-14)11-20-17-8-7-15(18)16(10-19)21-17/h4-9H,3,11-12H2,1-2H3,(H,20,21)
InChIKeyDRXOTIPSDNIXBW-UHFFFAOYSA-N
XLogP3.67
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Pyridinecarbonitrile, 4-(dimethylamino)-6-methyl-2-((phenylmethyl)amino)-
CID 660897
2-N-benzyl-4-N-(4-chlorophenyl)-6-methylpyrimidine-2,4-diamine
CID 697231
3-[2-(6-Amino-4-Methylpyridin-2-Yl)ethyl]-5-{2-[4-Methyl-6-(Methylamino)pyridin-2-Yl]ethyl}benzonitrile
CID 86346620
3-(2-(6-Amino-4-Methylpyridin-2-Yl)ethyl)-5-(Methyl(2-(Methylamino)ethyl)amino)benzonitrile
CID 91808026
4-Methyl-6-(2-{3-[3-(methylamino)propyl]phenyl}ethyl)pyridin-2-amine
CID 130449148
N4-(3-chlorophenyl)-6-methyl-N2-(phenylmethyl)pyrimidine-2,4-diamine
CID 697235
3-[2-(6-Amino-4-methylpyridin-2-yl)ethyl]-5-[3-(methylamino)propyl]benzonitrile
CID 134686794
2-[3-(1-Benzylpiperidin-4-yl)propylamino]-6-chloropyridine-3,5-dicarbonitrile
CID 72376172
N'-[(3S,4S)-4-[(6-amino-4-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]-N-[(4-chlorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 24990311
5-(4-Chlorophenyl)-6-(2,4-dichlorophenyl)-2-(isobutylamino)nicotinonitrile
CID 44440994
4-[[6-(4-Chloroanilino)-5-fluoro-2-pyridyl]amino]-3,5-dimethyl-benzonitrile
CID 90134188
(E)-3-[4-[[6-(4-chloroanilino)-5-fluoro-2-pyridyl]amino]-3-methyl-phenyl]prop-2-enenitrile
CID 90135467

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[[3-[[ethyl(methyl)amino]methyl]phenyl]methylamino]pyridine-2-carbonitrile?
The IUPAC name of 3-chloro-6-[[3-[[ethyl(methyl)amino]methyl]phenyl]methylamino]pyridine-2-carbonitrile (CID 133309541) is 3-chloro-6-[[3-[[ethyl(methyl)amino]methyl]phenyl]methylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 3-chloro-6-[[3-[[ethyl(methyl)amino]methyl]phenyl]methylamino]pyridine-2-carbonitrile?
The canonical SMILES for 3-chloro-6-[[3-[[ethyl(methyl)amino]methyl]phenyl]methylamino]pyridine-2-carbonitrile is CCN(C)Cc1cccc(CNc2ccc(Cl)c(C#N)n2)c1.
What is the InChIKey of 3-chloro-6-[[3-[[ethyl(methyl)amino]methyl]phenyl]methylamino]pyridine-2-carbonitrile?
The InChIKey is DRXOTIPSDNIXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4/c1-3-22(2)12-14-6-4-5-13(9-14)11-20-17-8-7-15(18)16(10-19)21-17/h4-9H,3,11-12H2,1-2H3,(H,20,21).
What are the key properties of 3-chloro-6-[[3-[[ethyl(methyl)amino]methyl]phenyl]methylamino]pyridine-2-carbonitrile?
3-chloro-6-[[3-[[ethyl(methyl)amino]methyl]phenyl]methylamino]pyridine-2-carbonitrile has a molecular weight of 314.82 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[[3-[[ethyl(methyl)amino]methyl]phenyl]methylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 133309541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).