piperidin-1-yl-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]methanone

C17H20N4O — CID 109182557

IUPACpiperidin-1-yl-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]methanone
SMILESO=C(c1ccc(NCc2ccccn2)cn1)N1CCCCC1
InChIInChI=1S/C17H20N4O/c22-17(21-10-4-1-5-11-21)16-8-7-15(13-20-16)19-12-14-6-2-3-9-18-14/h2-3,6-9,13,19H,1,4-5,10-12H2
InChIKeyAVBFIOAURWMNLH-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.71
Rot. Bonds4

About piperidin-1-yl-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]methanone

piperidin-1-yl-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]methanone (PubChem CID 109182557) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is piperidin-1-yl-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]methanone.

Molecular Properties

Compound Namepiperidin-1-yl-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]methanone
PubChem CID109182557
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Namepiperidin-1-yl-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]methanone
SMILESO=C(c1ccc(NCc2ccccn2)cn1)N1CCCCC1
InChIInChI=1S/C17H20N4O/c22-17(21-10-4-1-5-11-21)16-8-7-15(13-20-16)19-12-14-6-2-3-9-18-14/h2-3,6-9,13,19H,1,4-5,10-12H2
InChIKeyAVBFIOAURWMNLH-UHFFFAOYSA-N
XLogP2.71
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze piperidin-1-yl-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]methanone with MolForge

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

Launch Full Analysis

Related Compounds

N-(4-piperidin-1-ylphenyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109191130
[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111917
[5-(pyridin-4-ylmethylamino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109181808
[2-(pyridin-2-ylmethylamino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109249233
azocan-1-yl-[5-(ethylamino)-2-pyridinyl]methanone
CID 104639816
N-cyclohexyl-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109182931
[5-(2-methylpropylamino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109181202
(5-anilino-2-pyridinyl)-pyrrolidin-1-ylmethanone
CID 109181859
azepan-1-yl-(5-hydrazinyl-2-pyridinyl)methanone
CID 104642343
2-(piperidine-1-carbonyl)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide
CID 109081218
N-benzyl-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109187835
[5-(3-methylbutylamino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109182598

Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]methanone?
The IUPAC name of piperidin-1-yl-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]methanone (CID 109182557) is piperidin-1-yl-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]methanone.
What is the SMILES notation for piperidin-1-yl-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]methanone?
The canonical SMILES for piperidin-1-yl-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]methanone is O=C(c1ccc(NCc2ccccn2)cn1)N1CCCCC1.
What is the InChIKey of piperidin-1-yl-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]methanone?
The InChIKey is AVBFIOAURWMNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c22-17(21-10-4-1-5-11-21)16-8-7-15(13-20-16)19-12-14-6-2-3-9-18-14/h2-3,6-9,13,19H,1,4-5,10-12H2.
What are the key properties of piperidin-1-yl-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]methanone?
piperidin-1-yl-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]methanone has a molecular weight of 296.37 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]methanone is sourced from PubChem (CID 109182557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).