3-amino-4-[(3-methyl-2-pyridinyl)methylamino]benzonitrile

C14H14N4 — CID 63305745

IUPAC3-amino-4-[(3-methyl-2-pyridinyl)methylamino]benzonitrile
SMILESCc1cccnc1CNc1ccc(C#N)cc1N
InChIInChI=1S/C14H14N4/c1-10-3-2-6-17-14(10)9-18-13-5-4-11(8-15)7-12(13)16/h2-7,18H,9,16H2,1H3
InChIKeySEADUOKRFVQXQD-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.46
Rot. Bonds3

About 3-amino-4-[(3-methyl-2-pyridinyl)methylamino]benzonitrile

3-amino-4-[(3-methyl-2-pyridinyl)methylamino]benzonitrile (PubChem CID 63305745) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-amino-4-[(3-methyl-2-pyridinyl)methylamino]benzonitrile.

Molecular Properties

Compound Name3-amino-4-[(3-methyl-2-pyridinyl)methylamino]benzonitrile
PubChem CID63305745
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name3-amino-4-[(3-methyl-2-pyridinyl)methylamino]benzonitrile
SMILESCc1cccnc1CNc1ccc(C#N)cc1N
InChIInChI=1S/C14H14N4/c1-10-3-2-6-17-14(10)9-18-13-5-4-11(8-15)7-12(13)16/h2-7,18H,9,16H2,1H3
InChIKeySEADUOKRFVQXQD-UHFFFAOYSA-N
XLogP2.46
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-N-[(3-methyl-2-pyridinyl)methyl]benzene-1,2-diamine
CID 63305875
6-N-[(3-methyl-2-pyridinyl)methyl]quinoline-5,6-diamine
CID 63305883
2-iodo-1-N-[(3-methyl-2-pyridinyl)methyl]benzene-1,4-diamine
CID 66094598
3-amino-4-(2,2,3,3-tetramethylbutylamino)benzonitrile
CID 115127525
4-chloro-5-fluoro-1-N-[(3-methyl-2-pyridinyl)methyl]benzene-1,2-diamine
CID 66077847
2-chloro-6-[(3-methyl-2-pyridinyl)methylamino]pyridine-4-carbonitrile
CID 83077164
2-[(3-methyl-2-pyridinyl)methylamino]-5-nitrobenzonitrile
CID 63306358
2-bromo-6-[(3-methyl-2-pyridinyl)methylamino]benzonitrile
CID 114881034
2-chloro-6-[(3-methyl-2-pyridinyl)methylamino]benzonitrile
CID 63306219
3-methyl-4-(pyridin-2-ylmethylamino)benzonitrile
CID 60930495
3-amino-4-(2-methylanilino)benzonitrile
CID 43518137
4,6-dimethyl-2-[(3-methyl-2-pyridinyl)methylamino]pyridine-3-carbonitrile
CID 63306269

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(3-methyl-2-pyridinyl)methylamino]benzonitrile?
The IUPAC name of 3-amino-4-[(3-methyl-2-pyridinyl)methylamino]benzonitrile (CID 63305745) is 3-amino-4-[(3-methyl-2-pyridinyl)methylamino]benzonitrile.
What is the SMILES notation for 3-amino-4-[(3-methyl-2-pyridinyl)methylamino]benzonitrile?
The canonical SMILES for 3-amino-4-[(3-methyl-2-pyridinyl)methylamino]benzonitrile is Cc1cccnc1CNc1ccc(C#N)cc1N.
What is the InChIKey of 3-amino-4-[(3-methyl-2-pyridinyl)methylamino]benzonitrile?
The InChIKey is SEADUOKRFVQXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-10-3-2-6-17-14(10)9-18-13-5-4-11(8-15)7-12(13)16/h2-7,18H,9,16H2,1H3.
What are the key properties of 3-amino-4-[(3-methyl-2-pyridinyl)methylamino]benzonitrile?
3-amino-4-[(3-methyl-2-pyridinyl)methylamino]benzonitrile has a molecular weight of 238.29 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[(3-methyl-2-pyridinyl)methylamino]benzonitrile is sourced from PubChem (CID 63305745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).