5-[(5-amino-2-chlorophenyl)methyl-methylamino]pyridine-2-carbonitrile

C14H13ClN4 — CID 115490495

IUPAC5-[(5-amino-2-chlorophenyl)methyl-methylamino]pyridine-2-carbonitrile
SMILESCN(Cc1cc(N)ccc1Cl)c1ccc(C#N)nc1
InChIInChI=1S/C14H13ClN4/c1-19(13-4-3-12(7-16)18-8-13)9-10-6-11(17)2-5-14(10)15/h2-6,8H,9,17H2,1H3
InChIKeyIFWCOADZUCOTCB-UHFFFAOYSA-N
MW272.74 g/mol
LogP2.83
Rot. Bonds3

About 5-[(5-amino-2-chlorophenyl)methyl-methylamino]pyridine-2-carbonitrile

5-[(5-amino-2-chlorophenyl)methyl-methylamino]pyridine-2-carbonitrile (PubChem CID 115490495) has the molecular formula C14H13ClN4 and a molecular weight of 272.74 g/mol. Its IUPAC name is 5-[(5-amino-2-chlorophenyl)methyl-methylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[(5-amino-2-chlorophenyl)methyl-methylamino]pyridine-2-carbonitrile
PubChem CID115490495
Molecular FormulaC14H13ClN4
Molecular Weight272.74 g/mol
Exact Mass272.08
IUPAC Name5-[(5-amino-2-chlorophenyl)methyl-methylamino]pyridine-2-carbonitrile
SMILESCN(Cc1cc(N)ccc1Cl)c1ccc(C#N)nc1
InChIInChI=1S/C14H13ClN4/c1-19(13-4-3-12(7-16)18-8-13)9-10-6-11(17)2-5-14(10)15/h2-6,8H,9,17H2,1H3
InChIKeyIFWCOADZUCOTCB-UHFFFAOYSA-N
XLogP2.83
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-[(2-methoxyphenyl)methyl-methylamino]pyridine-2-carbonitrile
CID 79838727
2-[(6-cyano-3-pyridinyl)-methylamino]-N-(3,4-dichlorophenyl)acetamide
CID 133352459
N-[(5-amino-2-chlorophenyl)methyl]-5-bromo-3-chloro-N-methylpyridin-2-amine
CID 103582930
5-[(5-amino-2-chlorophenyl)methyl-methylamino]-1,3-dimethylpyrazole-4-carbonitrile
CID 63757012
5-[2-aminopropyl(methyl)amino]pyridine-2-carbonitrile
CID 130563574
4-[(2,5-dichlorophenyl)methyl-methylamino]benzonitrile
CID 65317327
5-[furan-2-ylmethyl(methyl)amino]pyridine-2-carbonitrile
CID 79840143
5-[(4-aminophenyl)methyl-ethylamino]pyridine-2-carbonitrile
CID 115490478
5-(5-amino-2-chloroanilino)pyridine-2-carbonitrile
CID 115490340
4-[(5-amino-2-ethoxyphenyl)methyl-methylamino]benzonitrile
CID 62970763
5-[2-cyanopropyl(methyl)amino]pyridine-2-carbonitrile
CID 115487373
5-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-2-carbonitrile
CID 115487708

Frequently Asked Questions

What is the IUPAC name of 5-[(5-amino-2-chlorophenyl)methyl-methylamino]pyridine-2-carbonitrile?
The IUPAC name of 5-[(5-amino-2-chlorophenyl)methyl-methylamino]pyridine-2-carbonitrile (CID 115490495) is 5-[(5-amino-2-chlorophenyl)methyl-methylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[(5-amino-2-chlorophenyl)methyl-methylamino]pyridine-2-carbonitrile?
The canonical SMILES for 5-[(5-amino-2-chlorophenyl)methyl-methylamino]pyridine-2-carbonitrile is CN(Cc1cc(N)ccc1Cl)c1ccc(C#N)nc1.
What is the InChIKey of 5-[(5-amino-2-chlorophenyl)methyl-methylamino]pyridine-2-carbonitrile?
The InChIKey is IFWCOADZUCOTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4/c1-19(13-4-3-12(7-16)18-8-13)9-10-6-11(17)2-5-14(10)15/h2-6,8H,9,17H2,1H3.
What are the key properties of 5-[(5-amino-2-chlorophenyl)methyl-methylamino]pyridine-2-carbonitrile?
5-[(5-amino-2-chlorophenyl)methyl-methylamino]pyridine-2-carbonitrile has a molecular weight of 272.74 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-amino-2-chlorophenyl)methyl-methylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 115490495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).