N-[3-(dimethylamino)propyl]-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide

C18H28N4O2 — CID 109083914

IUPACN-[3-(dimethylamino)propyl]-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
SMILESCC1CCCN(C(=O)c2cc(C(=O)NCCCN(C)C)ccn2)C1
InChIInChI=1S/C18H28N4O2/c1-14-6-4-11-22(13-14)18(24)16-12-15(7-9-19-16)17(23)20-8-5-10-21(2)3/h7,9,12,14H,4-6,8,10-11,13H2,1-3H3,(H,20,23)
InChIKeyXIPSNSQLVDFVJY-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.64
Rot. Bonds6

About N-[3-(dimethylamino)propyl]-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide

N-[3-(dimethylamino)propyl]-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide (PubChem CID 109083914) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
PubChem CID109083914
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC NameN-[3-(dimethylamino)propyl]-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
SMILESCC1CCCN(C(=O)c2cc(C(=O)NCCCN(C)C)ccn2)C1
InChIInChI=1S/C18H28N4O2/c1-14-6-4-11-22(13-14)18(24)16-12-15(7-9-19-16)17(23)20-8-5-10-21(2)3/h7,9,12,14H,4-6,8,10-11,13H2,1-3H3,(H,20,23)
InChIKeyXIPSNSQLVDFVJY-UHFFFAOYSA-N
XLogP1.64
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.64
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

N-[2-(dimethylamino)ethyl]-4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109083608
4-(azepane-1-carbonyl)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 109084053
N-butan-2-yl-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109080013
4-N-[3-(dimethylamino)propyl]-2-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109078222
N-[2-(dimethylamino)ethyl]-6-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109096331
4-(azepane-1-carbonyl)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide
CID 109083611
N-cyclopentyl-4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109080925
[5-[3-(dimethylamino)propylamino]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109186144
N-(2-fluorophenyl)-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109090390
N-(2,5-dimethylphenyl)-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109090374
N-(4-acetylphenyl)-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109090418
N-cycloheptyl-4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109089437

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide (CID 109083914) is N-[3-(dimethylamino)propyl]-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide is CC1CCCN(C(=O)c2cc(C(=O)NCCCN(C)C)ccn2)C1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide?
The InChIKey is XIPSNSQLVDFVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-14-6-4-11-22(13-14)18(24)16-12-15(7-9-19-16)17(23)20-8-5-10-21(2)3/h7,9,12,14H,4-6,8,10-11,13H2,1-3H3,(H,20,23).
What are the key properties of N-[3-(dimethylamino)propyl]-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide?
N-[3-(dimethylamino)propyl]-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide is sourced from PubChem (CID 109083914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).