4-[(2-amino-N-methylanilino)methyl]pyridine-2-carbonitrile

C14H14N4 — CID 63881172

IUPAC4-[(2-amino-N-methylanilino)methyl]pyridine-2-carbonitrile
SMILESCN(Cc1ccnc(C#N)c1)c1ccccc1N
InChIInChI=1S/C14H14N4/c1-18(14-5-3-2-4-13(14)16)10-11-6-7-17-12(8-11)9-15/h2-8H,10,16H2,1H3
InChIKeyAVOSBTNMQBCXQI-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.17
Rot. Bonds3

About 4-[(2-amino-N-methylanilino)methyl]pyridine-2-carbonitrile

4-[(2-amino-N-methylanilino)methyl]pyridine-2-carbonitrile (PubChem CID 63881172) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-[(2-amino-N-methylanilino)methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[(2-amino-N-methylanilino)methyl]pyridine-2-carbonitrile
PubChem CID63881172
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name4-[(2-amino-N-methylanilino)methyl]pyridine-2-carbonitrile
SMILESCN(Cc1ccnc(C#N)c1)c1ccccc1N
InChIInChI=1S/C14H14N4/c1-18(14-5-3-2-4-13(14)16)10-11-6-7-17-12(8-11)9-15/h2-8H,10,16H2,1H3
InChIKeyAVOSBTNMQBCXQI-UHFFFAOYSA-N
XLogP2.17
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.17
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

4-[(N,3,5-trimethylanilino)methyl]pyridine-2-carbonitrile
CID 63884612
4-[[methyl(propan-2-yl)amino]methyl]pyridine-2-carbonitrile
CID 63884796
4-[[benzyl(ethyl)amino]methyl]pyridine-2-carbonitrile
CID 63886343
4-[[cyclopentyl(methyl)amino]methyl]pyridine-2-carbonitrile
CID 63883628
4-[[(4-aminophenyl)methyl-propan-2-ylamino]methyl]pyridine-2-carbonitrile
CID 63880581
4-[methyl-[(3-methylphenyl)methyl]amino]pyridine-2-carbonitrile
CID 62925132
4-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]pyridine-2-carbonitrile
CID 63886159
4-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]pyridine-2-carbonitrile
CID 63886160
4-[(3-amino-2-methylphenyl)sulfanylmethyl]pyridine-2-carbonitrile
CID 79143782
4-[(3-amino-2-pyridinyl)sulfanylmethyl]pyridine-2-carbonitrile
CID 63881758
2-[methyl(pyridin-4-ylmethyl)amino]benzonitrile
CID 43420438
4-[[(3-aminophenyl)methyl-cyclopropylamino]methyl]pyridine-2-carbonitrile
CID 63880970

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-N-methylanilino)methyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[(2-amino-N-methylanilino)methyl]pyridine-2-carbonitrile (CID 63881172) is 4-[(2-amino-N-methylanilino)methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[(2-amino-N-methylanilino)methyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[(2-amino-N-methylanilino)methyl]pyridine-2-carbonitrile is CN(Cc1ccnc(C#N)c1)c1ccccc1N.
What is the InChIKey of 4-[(2-amino-N-methylanilino)methyl]pyridine-2-carbonitrile?
The InChIKey is AVOSBTNMQBCXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-18(14-5-3-2-4-13(14)16)10-11-6-7-17-12(8-11)9-15/h2-8H,10,16H2,1H3.
What are the key properties of 4-[(2-amino-N-methylanilino)methyl]pyridine-2-carbonitrile?
4-[(2-amino-N-methylanilino)methyl]pyridine-2-carbonitrile has a molecular weight of 238.29 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-N-methylanilino)methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 63881172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).