N-methyl-5-[4-(3-methylpyrrol-1-yl)piperidin-1-yl]pyridine-2-carboxamide

C17H22N4O — CID 169148857

IUPACN-methyl-5-[4-(3-methylpyrrol-1-yl)piperidin-1-yl]pyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2CCC(n3ccc(C)c3)CC2)cn1
InChIInChI=1S/C17H22N4O/c1-13-5-8-21(12-13)14-6-9-20(10-7-14)15-3-4-16(19-11-15)17(22)18-2/h3-5,8,11-12,14H,6-7,9-10H2,1-2H3,(H,18,22)
InChIKeyGZSWJFNPHGHKBR-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.39
Rot. Bonds3

About N-methyl-5-[4-(3-methylpyrrol-1-yl)piperidin-1-yl]pyridine-2-carboxamide

N-methyl-5-[4-(3-methylpyrrol-1-yl)piperidin-1-yl]pyridine-2-carboxamide (PubChem CID 169148857) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N-methyl-5-[4-(3-methylpyrrol-1-yl)piperidin-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[4-(3-methylpyrrol-1-yl)piperidin-1-yl]pyridine-2-carboxamide
PubChem CID169148857
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN-methyl-5-[4-(3-methylpyrrol-1-yl)piperidin-1-yl]pyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2CCC(n3ccc(C)c3)CC2)cn1
InChIInChI=1S/C17H22N4O/c1-13-5-8-21(12-13)14-6-9-20(10-7-14)15-3-4-16(19-11-15)17(22)18-2/h3-5,8,11-12,14H,6-7,9-10H2,1-2H3,(H,18,22)
InChIKeyGZSWJFNPHGHKBR-UHFFFAOYSA-N
XLogP2.39
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-(4-tert-butylpiperidin-1-yl)piperidin-1-yl]-N-methylpyridine-2-carboxamide
CID 176748280
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-[4-(4-tert-butyl-2-azabicyclo[2.2.1]heptan-2-yl)piperidin-1-yl]-N-methylpyridine-2-carboxamide
CID 176748288
5-[4-(3-tert-butyl-3-methylpiperidin-1-yl)piperidin-1-yl]-N-methylpyridine-2-carboxamide
CID 176748291
N-methyl-5-[4-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-3-yl)pyrrolidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide
CID 176689658
5-[4-(1-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl)piperidin-1-yl]-N-methylpyridine-2-carboxamide
CID 176748312
5-[4-[4-(5-ethyl-6-oxo-1H-pyrimidin-2-yl)piperidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide
CID 169149167
5-[4-[3-fluoropentyl(methyl)amino]piperidin-1-yl]-N-methylpyridine-2-carboxamide
CID 169149204
5-[4-[3-(3-fluoro-4-oxo-5H-pyrazolo[1,5-a]pyrazin-6-yl)pyrrolidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide
CID 176689709
ethane;5-[4-[3-fluoropentyl(methyl)amino]piperidin-1-yl]-N-methylpyridine-2-carboxamide
CID 169149242
5-[3-(hydroxymethyl)piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 167179178

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[4-(3-methylpyrrol-1-yl)piperidin-1-yl]pyridine-2-carboxamide?
The IUPAC name of N-methyl-5-[4-(3-methylpyrrol-1-yl)piperidin-1-yl]pyridine-2-carboxamide (CID 169148857) is N-methyl-5-[4-(3-methylpyrrol-1-yl)piperidin-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-5-[4-(3-methylpyrrol-1-yl)piperidin-1-yl]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-5-[4-(3-methylpyrrol-1-yl)piperidin-1-yl]pyridine-2-carboxamide is CNC(=O)c1ccc(N2CCC(n3ccc(C)c3)CC2)cn1.
What is the InChIKey of N-methyl-5-[4-(3-methylpyrrol-1-yl)piperidin-1-yl]pyridine-2-carboxamide?
The InChIKey is GZSWJFNPHGHKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-13-5-8-21(12-13)14-6-9-20(10-7-14)15-3-4-16(19-11-15)17(22)18-2/h3-5,8,11-12,14H,6-7,9-10H2,1-2H3,(H,18,22).
What are the key properties of N-methyl-5-[4-(3-methylpyrrol-1-yl)piperidin-1-yl]pyridine-2-carboxamide?
N-methyl-5-[4-(3-methylpyrrol-1-yl)piperidin-1-yl]pyridine-2-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[4-(3-methylpyrrol-1-yl)piperidin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 169148857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).