2-(3-aminopiperidin-1-yl)-6-[2-(cyclohexylamino)-4-pyridinyl]pyridine-4-carboxamide

C22H30N6O — CID 46899719

IUPAC2-(3-aminopiperidin-1-yl)-6-[2-(cyclohexylamino)-4-pyridinyl]pyridine-4-carboxamide
SMILESNC(=O)c1cc(-c2ccnc(NC3CCCCC3)c2)nc(N2CCCC(N)C2)c1
InChIInChI=1S/C22H30N6O/c23-17-5-4-10-28(14-17)21-13-16(22(24)29)11-19(27-21)15-8-9-25-20(12-15)26-18-6-2-1-3-7-18/h8-9,11-13,17-18H,1-7,10,14,23H2,(H2,24,29)(H,25,26)
InChIKeyWMFOYAZROOMVDL-UHFFFAOYSA-N
MW394.52 g/mol
LogP2.91
Rot. Bonds5

About 2-(3-aminopiperidin-1-yl)-6-[2-(cyclohexylamino)-4-pyridinyl]pyridine-4-carboxamide

2-(3-aminopiperidin-1-yl)-6-[2-(cyclohexylamino)-4-pyridinyl]pyridine-4-carboxamide (PubChem CID 46899719) has the molecular formula C22H30N6O and a molecular weight of 394.52 g/mol. Its IUPAC name is 2-(3-aminopiperidin-1-yl)-6-[2-(cyclohexylamino)-4-pyridinyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(3-aminopiperidin-1-yl)-6-[2-(cyclohexylamino)-4-pyridinyl]pyridine-4-carboxamide
PubChem CID46899719
Molecular FormulaC22H30N6O
Molecular Weight394.52 g/mol
Exact Mass394.25
IUPAC Name2-(3-aminopiperidin-1-yl)-6-[2-(cyclohexylamino)-4-pyridinyl]pyridine-4-carboxamide
SMILESNC(=O)c1cc(-c2ccnc(NC3CCCCC3)c2)nc(N2CCCC(N)C2)c1
InChIInChI=1S/C22H30N6O/c23-17-5-4-10-28(14-17)21-13-16(22(24)29)11-19(27-21)15-8-9-25-20(12-15)26-18-6-2-1-3-7-18/h8-9,11-13,17-18H,1-7,10,14,23H2,(H2,24,29)(H,25,26)
InChIKeyWMFOYAZROOMVDL-UHFFFAOYSA-N
XLogP2.91
TPSA110.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-(3-aminopiperidin-1-yl)-6-[2-(cyclohexylamino)-4-pyridinyl]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 2-(3-aminopiperidin-1-yl)-6-[2-(cyclohexylamino)-4-pyridinyl]pyridine-4-carboxamide?
The IUPAC name of 2-(3-aminopiperidin-1-yl)-6-[2-(cyclohexylamino)-4-pyridinyl]pyridine-4-carboxamide (CID 46899719) is 2-(3-aminopiperidin-1-yl)-6-[2-(cyclohexylamino)-4-pyridinyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(3-aminopiperidin-1-yl)-6-[2-(cyclohexylamino)-4-pyridinyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(3-aminopiperidin-1-yl)-6-[2-(cyclohexylamino)-4-pyridinyl]pyridine-4-carboxamide is NC(=O)c1cc(-c2ccnc(NC3CCCCC3)c2)nc(N2CCCC(N)C2)c1.
What is the InChIKey of 2-(3-aminopiperidin-1-yl)-6-[2-(cyclohexylamino)-4-pyridinyl]pyridine-4-carboxamide?
The InChIKey is WMFOYAZROOMVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O/c23-17-5-4-10-28(14-17)21-13-16(22(24)29)11-19(27-21)15-8-9-25-20(12-15)26-18-6-2-1-3-7-18/h8-9,11-13,17-18H,1-7,10,14,23H2,(H2,24,29)(H,25,26).
What are the key properties of 2-(3-aminopiperidin-1-yl)-6-[2-(cyclohexylamino)-4-pyridinyl]pyridine-4-carboxamide?
2-(3-aminopiperidin-1-yl)-6-[2-(cyclohexylamino)-4-pyridinyl]pyridine-4-carboxamide has a molecular weight of 394.52 g/mol, XLogP of 2.91, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopiperidin-1-yl)-6-[2-(cyclohexylamino)-4-pyridinyl]pyridine-4-carboxamide is sourced from PubChem (CID 46899719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).