2-chloro-6-[3-(N-methylanilino)propylamino]pyridine-4-carbonitrile

C16H17ClN4 — CID 83077592

IUPAC2-chloro-6-[3-(N-methylanilino)propylamino]pyridine-4-carbonitrile
SMILESCN(CCCNc1cc(C#N)cc(Cl)n1)c1ccccc1
InChIInChI=1S/C16H17ClN4/c1-21(14-6-3-2-4-7-14)9-5-8-19-16-11-13(12-18)10-15(17)20-16/h2-4,6-7,10-11H,5,8-9H2,1H3,(H,19,20)
InChIKeyMGYVIPHMTFJSDT-UHFFFAOYSA-N
MW300.79 g/mol
LogP3.55
Rot. Bonds6

About 2-chloro-6-[3-(N-methylanilino)propylamino]pyridine-4-carbonitrile

2-chloro-6-[3-(N-methylanilino)propylamino]pyridine-4-carbonitrile (PubChem CID 83077592) has the molecular formula C16H17ClN4 and a molecular weight of 300.79 g/mol. Its IUPAC name is 2-chloro-6-[3-(N-methylanilino)propylamino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-chloro-6-[3-(N-methylanilino)propylamino]pyridine-4-carbonitrile
PubChem CID83077592
Molecular FormulaC16H17ClN4
Molecular Weight300.79 g/mol
Exact Mass300.11
IUPAC Name2-chloro-6-[3-(N-methylanilino)propylamino]pyridine-4-carbonitrile
SMILESCN(CCCNc1cc(C#N)cc(Cl)n1)c1ccccc1
InChIInChI=1S/C16H17ClN4/c1-21(14-6-3-2-4-7-14)9-5-8-19-16-11-13(12-18)10-15(17)20-16/h2-4,6-7,10-11H,5,8-9H2,1H3,(H,19,20)
InChIKeyMGYVIPHMTFJSDT-UHFFFAOYSA-N
XLogP3.55
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(6-chloro-2-ethylpyrimidin-4-yl)-N'-methyl-N'-phenylpropane-1,3-diamine
CID 80938806
3-chloro-4-[3-(N-methylanilino)propylamino]benzonitrile
CID 63511053
N-(6-chloropyrimidin-4-yl)-N'-methyl-N'-phenylpropane-1,3-diamine
CID 60726185
5-chloro-2-[3-(N-methylanilino)propylamino]benzonitrile
CID 63510883
2-chloro-6-(6-hydroxyhexylamino)pyridine-4-carbonitrile
CID 107854040
2-chloro-6-[2-[di(propan-2-yl)amino]ethylamino]pyridine-4-carbonitrile
CID 83073946
5-methyl-2-[3-(N-methylanilino)propylamino]benzonitrile
CID 107926867
N-(6-methoxy-2-pyridinyl)-N'-methyl-N'-phenylpropane-1,3-diamine
CID 63591094
6-N-methyl-2-N-[3-(N-methylanilino)propyl]pyrazine-2,6-diamine
CID 80784811
N'-methyl-N-(6-methylpyrimidin-4-yl)-N'-phenylpropane-1,3-diamine
CID 61226497
6-N-ethyl-4-N-[3-(N-methylanilino)propyl]pyrimidine-4,6-diamine
CID 80771230
3-cyano-N-[3-(N-methylanilino)propyl]benzamide
CID 24708607

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[3-(N-methylanilino)propylamino]pyridine-4-carbonitrile?
The IUPAC name of 2-chloro-6-[3-(N-methylanilino)propylamino]pyridine-4-carbonitrile (CID 83077592) is 2-chloro-6-[3-(N-methylanilino)propylamino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-chloro-6-[3-(N-methylanilino)propylamino]pyridine-4-carbonitrile?
The canonical SMILES for 2-chloro-6-[3-(N-methylanilino)propylamino]pyridine-4-carbonitrile is CN(CCCNc1cc(C#N)cc(Cl)n1)c1ccccc1.
What is the InChIKey of 2-chloro-6-[3-(N-methylanilino)propylamino]pyridine-4-carbonitrile?
The InChIKey is MGYVIPHMTFJSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4/c1-21(14-6-3-2-4-7-14)9-5-8-19-16-11-13(12-18)10-15(17)20-16/h2-4,6-7,10-11H,5,8-9H2,1H3,(H,19,20).
What are the key properties of 2-chloro-6-[3-(N-methylanilino)propylamino]pyridine-4-carbonitrile?
2-chloro-6-[3-(N-methylanilino)propylamino]pyridine-4-carbonitrile has a molecular weight of 300.79 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[3-(N-methylanilino)propylamino]pyridine-4-carbonitrile is sourced from PubChem (CID 83077592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).