2-amino-3-methyl-N-(pyridin-2-ylmethyl)benzamide

C14H15N3O — CID 16787973

IUPAC2-amino-3-methyl-N-(pyridin-2-ylmethyl)benzamide
SMILESCc1cccc(C(=O)NCc2ccccn2)c1N
InChIInChI=1S/C14H15N3O/c1-10-5-4-7-12(13(10)15)14(18)17-9-11-6-2-3-8-16-11/h2-8H,9,15H2,1H3,(H,17,18)
InChIKeyHKQJIGRTNNOEKZ-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.90
Rot. Bonds3

About 2-amino-3-methyl-N-(pyridin-2-ylmethyl)benzamide

2-amino-3-methyl-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 16787973) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-amino-3-methyl-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-(pyridin-2-ylmethyl)benzamide
PubChem CID16787973
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name2-amino-3-methyl-N-(pyridin-2-ylmethyl)benzamide
SMILESCc1cccc(C(=O)NCc2ccccn2)c1N
InChIInChI=1S/C14H15N3O/c1-10-5-4-7-12(13(10)15)14(18)17-9-11-6-2-3-8-16-11/h2-8H,9,15H2,1H3,(H,17,18)
InChIKeyHKQJIGRTNNOEKZ-UHFFFAOYSA-N
XLogP1.90
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-3-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 113338677
2-amino-3-methyl-N-(pyridazin-3-ylmethyl)benzamide
CID 106894585
2-amino-3-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 62321573
3-amino-7-methyl-N-(pyridin-2-ylmethyl)-1-benzothiophene-2-carboxamide
CID 107112787
5-amino-2-methyl-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 54914226
2-acetamido-N-(pyridin-2-ylmethyl)benzamide
CID 783556
2,3-dichloro-N-(pyridin-2-ylmethyl)benzamide
CID 1247422
2-(ethylamino)-N-(pyridin-2-ylmethyl)benzamide
CID 62167465
3-fluoro-2-(methylamino)-N-(pyridin-2-ylmethyl)benzamide
CID 62649935
2-amino-3-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
CID 106391343
2,5-dimethoxy-4-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 110763244
2-amino-5-fluoro-N-(pyridin-2-ylmethyl)benzamide
CID 43132619

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 2-amino-3-methyl-N-(pyridin-2-ylmethyl)benzamide (CID 16787973) is 2-amino-3-methyl-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 2-amino-3-methyl-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 2-amino-3-methyl-N-(pyridin-2-ylmethyl)benzamide is Cc1cccc(C(=O)NCc2ccccn2)c1N.
What is the InChIKey of 2-amino-3-methyl-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is HKQJIGRTNNOEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-10-5-4-7-12(13(10)15)14(18)17-9-11-6-2-3-8-16-11/h2-8H,9,15H2,1H3,(H,17,18).
What are the key properties of 2-amino-3-methyl-N-(pyridin-2-ylmethyl)benzamide?
2-amino-3-methyl-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 241.29 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 16787973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).