2-amino-5-[(6-methyl-3-pyridinyl)methylamino]benzamide

C14H16N4O — CID 62989638

IUPAC2-amino-5-[(6-methyl-3-pyridinyl)methylamino]benzamide
SMILESCc1ccc(CNc2ccc(N)c(C(N)=O)c2)cn1
InChIInChI=1S/C14H16N4O/c1-9-2-3-10(7-17-9)8-18-11-4-5-13(15)12(6-11)14(16)19/h2-7,18H,8,15H2,1H3,(H2,16,19)
InChIKeyLGXBJADLPXBCFM-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.68
Rot. Bonds4

About 2-amino-5-[(6-methyl-3-pyridinyl)methylamino]benzamide

2-amino-5-[(6-methyl-3-pyridinyl)methylamino]benzamide (PubChem CID 62989638) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-amino-5-[(6-methyl-3-pyridinyl)methylamino]benzamide.

Molecular Properties

Compound Name2-amino-5-[(6-methyl-3-pyridinyl)methylamino]benzamide
PubChem CID62989638
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name2-amino-5-[(6-methyl-3-pyridinyl)methylamino]benzamide
SMILESCc1ccc(CNc2ccc(N)c(C(N)=O)c2)cn1
InChIInChI=1S/C14H16N4O/c1-9-2-3-10(7-17-9)8-18-11-4-5-13(15)12(6-11)14(16)19/h2-7,18H,8,15H2,1H3,(H2,16,19)
InChIKeyLGXBJADLPXBCFM-UHFFFAOYSA-N
XLogP1.68
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(6-methyl-3-pyridinyl)methylamino]benzamide?
The IUPAC name of 2-amino-5-[(6-methyl-3-pyridinyl)methylamino]benzamide (CID 62989638) is 2-amino-5-[(6-methyl-3-pyridinyl)methylamino]benzamide.
What is the SMILES notation for 2-amino-5-[(6-methyl-3-pyridinyl)methylamino]benzamide?
The canonical SMILES for 2-amino-5-[(6-methyl-3-pyridinyl)methylamino]benzamide is Cc1ccc(CNc2ccc(N)c(C(N)=O)c2)cn1.
What is the InChIKey of 2-amino-5-[(6-methyl-3-pyridinyl)methylamino]benzamide?
The InChIKey is LGXBJADLPXBCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-9-2-3-10(7-17-9)8-18-11-4-5-13(15)12(6-11)14(16)19/h2-7,18H,8,15H2,1H3,(H2,16,19).
What are the key properties of 2-amino-5-[(6-methyl-3-pyridinyl)methylamino]benzamide?
2-amino-5-[(6-methyl-3-pyridinyl)methylamino]benzamide has a molecular weight of 256.31 g/mol, XLogP of 1.68, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(6-methyl-3-pyridinyl)methylamino]benzamide is sourced from PubChem (CID 62989638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).