ethane;5-[4-[3-fluoropentyl(methyl)amino]piperidin-1-yl]-N-methylpyridine-2-carboxamide

C22H41FN4O — CID 169149242

IUPACethane;5-[4-[3-fluoropentyl(methyl)amino]piperidin-1-yl]-N-methylpyridine-2-carboxamide
SMILESCC.CC.CCC(F)CCN(C)C1CCN(c2ccc(C(=O)NC)nc2)CC1
InChIInChI=1S/C18H29FN4O.2C2H6/c1-4-14(19)7-10-22(3)15-8-11-23(12-9-15)16-5-6-17(21-13-16)18(24)20-2;2*1-2/h5-6,13-15H,4,7-12H2,1-3H3,(H,20,24);2*1-2H3
InChIKeyJIMLIHPXPDMQJN-UHFFFAOYSA-N
MW396.60 g/mol
LogP4.53
Rot. Bonds7

About ethane;5-[4-[3-fluoropentyl(methyl)amino]piperidin-1-yl]-N-methylpyridine-2-carboxamide

ethane;5-[4-[3-fluoropentyl(methyl)amino]piperidin-1-yl]-N-methylpyridine-2-carboxamide (PubChem CID 169149242) has the molecular formula C22H41FN4O and a molecular weight of 396.60 g/mol. Its IUPAC name is ethane;5-[4-[3-fluoropentyl(methyl)amino]piperidin-1-yl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Nameethane;5-[4-[3-fluoropentyl(methyl)amino]piperidin-1-yl]-N-methylpyridine-2-carboxamide
PubChem CID169149242
Molecular FormulaC22H41FN4O
Molecular Weight396.60 g/mol
Exact Mass396.33
IUPAC Nameethane;5-[4-[3-fluoropentyl(methyl)amino]piperidin-1-yl]-N-methylpyridine-2-carboxamide
SMILESCC.CC.CCC(F)CCN(C)C1CCN(c2ccc(C(=O)NC)nc2)CC1
InChIInChI=1S/C18H29FN4O.2C2H6/c1-4-14(19)7-10-22(3)15-8-11-23(12-9-15)16-5-6-17(21-13-16)18(24)20-2;2*1-2/h5-6,13-15H,4,7-12H2,1-3H3,(H,20,24);2*1-2H3
InChIKeyJIMLIHPXPDMQJN-UHFFFAOYSA-N
XLogP4.53
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.60
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-[3-fluoropentyl(methyl)amino]piperidin-1-yl]-N-methylpyridine-2-carboxamide
CID 169149204
5-[4-(4-tert-butylpiperidin-1-yl)piperidin-1-yl]-N-methylpyridine-2-carboxamide
CID 176748280
5-[4-[(3-ethyl-2,4-dioxo-1H-quinazolin-7-yl)-methylamino]piperidin-1-yl]-N-methylpyridine-2-carboxamide
CID 170981554
5-[4-(3-tert-butyl-3-fluoropyrrolidin-1-yl)piperidin-1-yl]-N-methylpyridine-2-carboxamide
CID 176748323
5-[4-[3-(2,2-dimethylpropyl)piperidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide
CID 176748206
5-[3-(hydroxymethyl)piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 167179178
N-methyl-5-[4-(3-methylpyrrol-1-yl)piperidin-1-yl]pyridine-2-carboxamide
CID 169148857
5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 104638980
1-[6-(1-hydroxypropyl)-3-pyridinyl]-N-methylpiperidine-4-carboxamide
CID 115940404
1-[6-[(1S)-1-hydroxypropyl]-3-pyridinyl]-N-methylpiperidine-4-carboxamide
CID 103938495
5-[4-(3-tert-butyl-3-methylpiperidin-1-yl)piperidin-1-yl]-N-methylpyridine-2-carboxamide
CID 176748291
5-[4-(1-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl)piperidin-1-yl]-N-methylpyridine-2-carboxamide
CID 176748312

Frequently Asked Questions

What is the IUPAC name of ethane;5-[4-[3-fluoropentyl(methyl)amino]piperidin-1-yl]-N-methylpyridine-2-carboxamide?
The IUPAC name of ethane;5-[4-[3-fluoropentyl(methyl)amino]piperidin-1-yl]-N-methylpyridine-2-carboxamide (CID 169149242) is ethane;5-[4-[3-fluoropentyl(methyl)amino]piperidin-1-yl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for ethane;5-[4-[3-fluoropentyl(methyl)amino]piperidin-1-yl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for ethane;5-[4-[3-fluoropentyl(methyl)amino]piperidin-1-yl]-N-methylpyridine-2-carboxamide is CC.CC.CCC(F)CCN(C)C1CCN(c2ccc(C(=O)NC)nc2)CC1.
What is the InChIKey of ethane;5-[4-[3-fluoropentyl(methyl)amino]piperidin-1-yl]-N-methylpyridine-2-carboxamide?
The InChIKey is JIMLIHPXPDMQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN4O.2C2H6/c1-4-14(19)7-10-22(3)15-8-11-23(12-9-15)16-5-6-17(21-13-16)18(24)20-2;2*1-2/h5-6,13-15H,4,7-12H2,1-3H3,(H,20,24);2*1-2H3.
What are the key properties of ethane;5-[4-[3-fluoropentyl(methyl)amino]piperidin-1-yl]-N-methylpyridine-2-carboxamide?
ethane;5-[4-[3-fluoropentyl(methyl)amino]piperidin-1-yl]-N-methylpyridine-2-carboxamide has a molecular weight of 396.60 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-[4-[3-fluoropentyl(methyl)amino]piperidin-1-yl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 169149242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).