(4-amino-3-pyridinyl)-(3-methylpiperidin-3-yl)methanone

C12H17N3O — CID 116569322

IUPAC(4-amino-3-pyridinyl)-(3-methylpiperidin-3-yl)methanone
SMILESCC1(C(=O)c2cnccc2N)CCCNC1
InChIInChI=1S/C12H17N3O/c1-12(4-2-5-15-8-12)11(16)9-7-14-6-3-10(9)13/h3,6-7,15H,2,4-5,8H2,1H3,(H2,13,14)
InChIKeySZZAIPSXHBLUOV-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.24
Rot. Bonds2

About (4-amino-3-pyridinyl)-(3-methylpiperidin-3-yl)methanone

(4-amino-3-pyridinyl)-(3-methylpiperidin-3-yl)methanone (PubChem CID 116569322) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is (4-amino-3-pyridinyl)-(3-methylpiperidin-3-yl)methanone.

Molecular Properties

Compound Name(4-amino-3-pyridinyl)-(3-methylpiperidin-3-yl)methanone
PubChem CID116569322
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name(4-amino-3-pyridinyl)-(3-methylpiperidin-3-yl)methanone
SMILESCC1(C(=O)c2cnccc2N)CCCNC1
InChIInChI=1S/C12H17N3O/c1-12(4-2-5-15-8-12)11(16)9-7-14-6-3-10(9)13/h3,6-7,15H,2,4-5,8H2,1H3,(H2,13,14)
InChIKeySZZAIPSXHBLUOV-UHFFFAOYSA-N
XLogP1.24
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4-amino-3-pyridinyl)-(3-methylpiperidin-3-yl)methanone 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-amino-3-pyridinyl)-(3-methylpiperidin-3-yl)methanone?
The IUPAC name of (4-amino-3-pyridinyl)-(3-methylpiperidin-3-yl)methanone (CID 116569322) is (4-amino-3-pyridinyl)-(3-methylpiperidin-3-yl)methanone.
What is the SMILES notation for (4-amino-3-pyridinyl)-(3-methylpiperidin-3-yl)methanone?
The canonical SMILES for (4-amino-3-pyridinyl)-(3-methylpiperidin-3-yl)methanone is CC1(C(=O)c2cnccc2N)CCCNC1.
What is the InChIKey of (4-amino-3-pyridinyl)-(3-methylpiperidin-3-yl)methanone?
The InChIKey is SZZAIPSXHBLUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-12(4-2-5-15-8-12)11(16)9-7-14-6-3-10(9)13/h3,6-7,15H,2,4-5,8H2,1H3,(H2,13,14).
What are the key properties of (4-amino-3-pyridinyl)-(3-methylpiperidin-3-yl)methanone?
(4-amino-3-pyridinyl)-(3-methylpiperidin-3-yl)methanone has a molecular weight of 219.29 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-pyridinyl)-(3-methylpiperidin-3-yl)methanone is sourced from PubChem (CID 116569322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).