3-amino-N-(4,6-dimethyl-2-pyridinyl)benzamide

C14H15N3O — CID 13440638

IUPAC3-amino-N-(4,6-dimethyl-2-pyridinyl)benzamide
SMILESCc1cc(C)nc(NC(=O)c2cccc(N)c2)c1
InChIInChI=1S/C14H15N3O/c1-9-6-10(2)16-13(7-9)17-14(18)11-4-3-5-12(15)8-11/h3-8H,15H2,1-2H3,(H,16,17,18)
InChIKeyDSSMJPKOSYQFOK-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.53
Rot. Bonds2

About 3-amino-N-(4,6-dimethyl-2-pyridinyl)benzamide

3-amino-N-(4,6-dimethyl-2-pyridinyl)benzamide (PubChem CID 13440638) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 3-amino-N-(4,6-dimethyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name3-amino-N-(4,6-dimethyl-2-pyridinyl)benzamide
PubChem CID13440638
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name3-amino-N-(4,6-dimethyl-2-pyridinyl)benzamide
SMILESCc1cc(C)nc(NC(=O)c2cccc(N)c2)c1
InChIInChI=1S/C14H15N3O/c1-9-6-10(2)16-13(7-9)17-14(18)11-4-3-5-12(15)8-11/h3-8H,15H2,1-2H3,(H,16,17,18)
InChIKeyDSSMJPKOSYQFOK-UHFFFAOYSA-N
XLogP2.53
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4,6-dimethyl-2-pyridinyl)benzamide?
The IUPAC name of 3-amino-N-(4,6-dimethyl-2-pyridinyl)benzamide (CID 13440638) is 3-amino-N-(4,6-dimethyl-2-pyridinyl)benzamide.
What is the SMILES notation for 3-amino-N-(4,6-dimethyl-2-pyridinyl)benzamide?
The canonical SMILES for 3-amino-N-(4,6-dimethyl-2-pyridinyl)benzamide is Cc1cc(C)nc(NC(=O)c2cccc(N)c2)c1.
What is the InChIKey of 3-amino-N-(4,6-dimethyl-2-pyridinyl)benzamide?
The InChIKey is DSSMJPKOSYQFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-9-6-10(2)16-13(7-9)17-14(18)11-4-3-5-12(15)8-11/h3-8H,15H2,1-2H3,(H,16,17,18).
What are the key properties of 3-amino-N-(4,6-dimethyl-2-pyridinyl)benzamide?
3-amino-N-(4,6-dimethyl-2-pyridinyl)benzamide has a molecular weight of 241.29 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4,6-dimethyl-2-pyridinyl)benzamide is sourced from PubChem (CID 13440638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).