[5-[3-(dimethylamino)propylamino]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone

C17H28N4O — CID 109186144

IUPAC[5-[3-(dimethylamino)propylamino]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2ccc(NCCCN(C)C)cn2)C1
InChIInChI=1S/C17H28N4O/c1-14-6-4-11-21(13-14)17(22)16-8-7-15(12-19-16)18-9-5-10-20(2)3/h7-8,12,14,18H,4-6,9-11,13H2,1-3H3
InChIKeyPQWMRFGCDVLDJN-UHFFFAOYSA-N
MW304.44 g/mol
LogP2.32
Rot. Bonds6

About [5-[3-(dimethylamino)propylamino]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone

[5-[3-(dimethylamino)propylamino]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 109186144) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is [5-[3-(dimethylamino)propylamino]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-[3-(dimethylamino)propylamino]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
PubChem CID109186144
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name[5-[3-(dimethylamino)propylamino]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2ccc(NCCCN(C)C)cn2)C1
InChIInChI=1S/C17H28N4O/c1-14-6-4-11-21(13-14)17(22)16-8-7-15(12-19-16)18-9-5-10-20(2)3/h7-8,12,14,18H,4-6,9-11,13H2,1-3H3
InChIKeyPQWMRFGCDVLDJN-UHFFFAOYSA-N
XLogP2.32
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109192409
[5-(4-fluoroanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109196342
[5-[3-(dimethylamino)propylamino]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 109186143
(3-hydroxy-4-methylpiperidin-1-yl)-[5-(propylamino)-2-pyridinyl]methanone
CID 102964768
N-[3-(dimethylamino)propyl]-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109083914
[5-(2,6-difluoroanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109196418
[5-[3-(dimethylamino)propylamino]-2-pyridinyl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 109186130
(3-methylpiperidin-1-yl)-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone
CID 109191349
5-[3-(dimethylamino)propylamino]-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridine-2-carboxamide
CID 109186215
[5-(methylamino)-2-pyridinyl]-(4-methylazepan-1-yl)methanone
CID 113436179
[5-(2-ethylanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109196331
3,4-dihydro-2H-quinolin-1-yl-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]methanone
CID 109186156

Frequently Asked Questions

What is the IUPAC name of [5-[3-(dimethylamino)propylamino]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [5-[3-(dimethylamino)propylamino]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone (CID 109186144) is [5-[3-(dimethylamino)propylamino]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-[3-(dimethylamino)propylamino]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [5-[3-(dimethylamino)propylamino]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone is CC1CCCN(C(=O)c2ccc(NCCCN(C)C)cn2)C1.
What is the InChIKey of [5-[3-(dimethylamino)propylamino]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is PQWMRFGCDVLDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-14-6-4-11-21(13-14)17(22)16-8-7-15(12-19-16)18-9-5-10-20(2)3/h7-8,12,14,18H,4-6,9-11,13H2,1-3H3.
What are the key properties of [5-[3-(dimethylamino)propylamino]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
[5-[3-(dimethylamino)propylamino]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 304.44 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[3-(dimethylamino)propylamino]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 109186144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).