4-(3-amino-2-pyridinyl)-N-[(3-methyloxetan-3-yl)methyl]benzamide

C17H19N3O2 — CID 121499310

IUPAC4-(3-amino-2-pyridinyl)-N-[(3-methyloxetan-3-yl)methyl]benzamide
SMILESCC1(CNC(=O)c2ccc(-c3ncccc3N)cc2)COC1
InChIInChI=1S/C17H19N3O2/c1-17(10-22-11-17)9-20-16(21)13-6-4-12(5-7-13)15-14(18)3-2-8-19-15/h2-8H,9-11,18H2,1H3,(H,20,21)
InChIKeyNHURJJWXCBVJSW-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.10
Rot. Bonds4

About 4-(3-amino-2-pyridinyl)-N-[(3-methyloxetan-3-yl)methyl]benzamide

4-(3-amino-2-pyridinyl)-N-[(3-methyloxetan-3-yl)methyl]benzamide (PubChem CID 121499310) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 4-(3-amino-2-pyridinyl)-N-[(3-methyloxetan-3-yl)methyl]benzamide.

Molecular Properties

Compound Name4-(3-amino-2-pyridinyl)-N-[(3-methyloxetan-3-yl)methyl]benzamide
PubChem CID121499310
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name4-(3-amino-2-pyridinyl)-N-[(3-methyloxetan-3-yl)methyl]benzamide
SMILESCC1(CNC(=O)c2ccc(-c3ncccc3N)cc2)COC1
InChIInChI=1S/C17H19N3O2/c1-17(10-22-11-17)9-20-16(21)13-6-4-12(5-7-13)15-14(18)3-2-8-19-15/h2-8H,9-11,18H2,1H3,(H,20,21)
InChIKeyNHURJJWXCBVJSW-UHFFFAOYSA-N
XLogP2.10
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(3-amino-2-pyridinyl)-N-[(3-methyloxetan-3-yl)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-2-pyridinyl)-N-[(3-methyloxetan-3-yl)methyl]benzamide?
The IUPAC name of 4-(3-amino-2-pyridinyl)-N-[(3-methyloxetan-3-yl)methyl]benzamide (CID 121499310) is 4-(3-amino-2-pyridinyl)-N-[(3-methyloxetan-3-yl)methyl]benzamide.
What is the SMILES notation for 4-(3-amino-2-pyridinyl)-N-[(3-methyloxetan-3-yl)methyl]benzamide?
The canonical SMILES for 4-(3-amino-2-pyridinyl)-N-[(3-methyloxetan-3-yl)methyl]benzamide is CC1(CNC(=O)c2ccc(-c3ncccc3N)cc2)COC1.
What is the InChIKey of 4-(3-amino-2-pyridinyl)-N-[(3-methyloxetan-3-yl)methyl]benzamide?
The InChIKey is NHURJJWXCBVJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-17(10-22-11-17)9-20-16(21)13-6-4-12(5-7-13)15-14(18)3-2-8-19-15/h2-8H,9-11,18H2,1H3,(H,20,21).
What are the key properties of 4-(3-amino-2-pyridinyl)-N-[(3-methyloxetan-3-yl)methyl]benzamide?
4-(3-amino-2-pyridinyl)-N-[(3-methyloxetan-3-yl)methyl]benzamide has a molecular weight of 297.36 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-2-pyridinyl)-N-[(3-methyloxetan-3-yl)methyl]benzamide is sourced from PubChem (CID 121499310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).