N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide

C12H17N3O — CID 1247370

IUPACN-(1-methylpiperidin-4-yl)pyridine-4-carboxamide
SMILESCN1CCC(NC(=O)c2ccncc2)CC1
InChIInChI=1S/C12H17N3O/c1-15-8-4-11(5-9-15)14-12(16)10-2-6-13-7-3-10/h2-3,6-7,11H,4-5,8-9H2,1H3,(H,14,16)
InChIKeyQTYDFDDKMSOBOZ-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.91
Rot. Bonds2

About N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide

N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide (PubChem CID 1247370) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1-methylpiperidin-4-yl)pyridine-4-carboxamide
PubChem CID1247370
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC NameN-(1-methylpiperidin-4-yl)pyridine-4-carboxamide
SMILESCN1CCC(NC(=O)c2ccncc2)CC1
InChIInChI=1S/C12H17N3O/c1-15-8-4-11(5-9-15)14-12(16)10-2-6-13-7-3-10/h2-3,6-7,11H,4-5,8-9H2,1H3,(H,14,16)
InChIKeyQTYDFDDKMSOBOZ-UHFFFAOYSA-N
XLogP0.91
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide 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 N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide?
The IUPAC name of N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide (CID 1247370) is N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide?
The canonical SMILES for N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide is CN1CCC(NC(=O)c2ccncc2)CC1.
What is the InChIKey of N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide?
The InChIKey is QTYDFDDKMSOBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-15-8-4-11(5-9-15)14-12(16)10-2-6-13-7-3-10/h2-3,6-7,11H,4-5,8-9H2,1H3,(H,14,16).
What are the key properties of N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide?
N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide has a molecular weight of 219.29 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide is sourced from PubChem (CID 1247370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).