3-methyl-4-(pyridin-2-ylmethylamino)benzonitrile

C14H13N3 — CID 60930495

IUPAC3-methyl-4-(pyridin-2-ylmethylamino)benzonitrile
SMILESCc1cc(C#N)ccc1NCc1ccccn1
InChIInChI=1S/C14H13N3/c1-11-8-12(9-15)5-6-14(11)17-10-13-4-2-3-7-16-13/h2-8,17H,10H2,1H3
InChIKeyPOBFWWVOIYVPIO-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.87
Rot. Bonds3

About 3-methyl-4-(pyridin-2-ylmethylamino)benzonitrile

3-methyl-4-(pyridin-2-ylmethylamino)benzonitrile (PubChem CID 60930495) has the molecular formula C14H13N3 and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-methyl-4-(pyridin-2-ylmethylamino)benzonitrile.

Molecular Properties

Compound Name3-methyl-4-(pyridin-2-ylmethylamino)benzonitrile
PubChem CID60930495
Molecular FormulaC14H13N3
Molecular Weight223.28 g/mol
Exact Mass223.11
IUPAC Name3-methyl-4-(pyridin-2-ylmethylamino)benzonitrile
SMILESCc1cc(C#N)ccc1NCc1ccccn1
InChIInChI=1S/C14H13N3/c1-11-8-12(9-15)5-6-14(11)17-10-13-4-2-3-7-16-13/h2-8,17H,10H2,1H3
InChIKeyPOBFWWVOIYVPIO-UHFFFAOYSA-N
XLogP2.87
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-nitro-4-(pyridin-2-ylmethylamino)benzonitrile
CID 24903012
4-ethoxy-2-methyl-N-(pyridin-2-ylmethyl)aniline
CID 54865375
3-methyl-4-(pyridin-2-ylmethylamino)benzoic acid
CID 6472477
3-methyl-4-(pyridin-2-ylmethylamino)benzoate
CID 7420321
2-methyl-4-(pyridin-2-ylmethylamino)benzonitrile
CID 81272878
6-chloro-4-methyl-N-(pyridin-2-ylmethyl)pyridin-3-amine
CID 104599914
3-methyl-4-(1-pyridin-2-ylethylamino)benzonitrile
CID 60929772
3-amino-4-[(3-methyl-2-pyridinyl)methylamino]benzonitrile
CID 63305745
4-methyl-N-(pyridin-2-ylmethyl)pyridin-3-amine
CID 63329318
2-chloro-6-(pyridin-2-ylmethylamino)benzonitrile
CID 17393162
4-[[3-(methoxymethyl)phenyl]methylamino]-3-methylbenzonitrile
CID 61003171
4-(ethoxyamino)-3-methylbenzonitrile
CID 123976068

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(pyridin-2-ylmethylamino)benzonitrile?
The IUPAC name of 3-methyl-4-(pyridin-2-ylmethylamino)benzonitrile (CID 60930495) is 3-methyl-4-(pyridin-2-ylmethylamino)benzonitrile.
What is the SMILES notation for 3-methyl-4-(pyridin-2-ylmethylamino)benzonitrile?
The canonical SMILES for 3-methyl-4-(pyridin-2-ylmethylamino)benzonitrile is Cc1cc(C#N)ccc1NCc1ccccn1.
What is the InChIKey of 3-methyl-4-(pyridin-2-ylmethylamino)benzonitrile?
The InChIKey is POBFWWVOIYVPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3/c1-11-8-12(9-15)5-6-14(11)17-10-13-4-2-3-7-16-13/h2-8,17H,10H2,1H3.
What are the key properties of 3-methyl-4-(pyridin-2-ylmethylamino)benzonitrile?
3-methyl-4-(pyridin-2-ylmethylamino)benzonitrile has a molecular weight of 223.28 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(pyridin-2-ylmethylamino)benzonitrile is sourced from PubChem (CID 60930495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).