5-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide

C19H26N4O2 — CID 129007668

IUPAC5-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
SMILESCNC(=O)c1ccc(C2CCCCN2Cc2ccc(OC)nc2)n1C
InChIInChI=1S/C19H26N4O2/c1-20-19(24)17-9-8-15(22(17)2)16-6-4-5-11-23(16)13-14-7-10-18(25-3)21-12-14/h7-10,12,16H,4-6,11,13H2,1-3H3,(H,20,24)
InChIKeyJENGJBWJGWGDBB-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.52
Rot. Bonds5

About 5-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide

5-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide (PubChem CID 129007668) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 5-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide.

Molecular Properties

Compound Name5-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
PubChem CID129007668
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name5-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
SMILESCNC(=O)c1ccc(C2CCCCN2Cc2ccc(OC)nc2)n1C
InChIInChI=1S/C19H26N4O2/c1-20-19(24)17-9-8-15(22(17)2)16-6-4-5-11-23(16)13-14-7-10-18(25-3)21-12-14/h7-10,12,16H,4-6,11,13H2,1-3H3,(H,20,24)
InChIKeyJENGJBWJGWGDBB-UHFFFAOYSA-N
XLogP2.52
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
CID 129006816
N,1-dimethyl-5-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]pyrrole-2-carboxamide
CID 129337137
5-[(2S)-1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
CID 129337148
5-[(2S)-1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
CID 129334635
5-[1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
CID 129007661
5-[(2R)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
CID 129342544
5-[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
CID 129002276
5-[(2S)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
CID 129342543
5-[(2R)-1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
CID 129333113
2-methoxy-5-[[(2S)-2-methylpiperidin-1-yl]methyl]pyridine
CID 95789080
5-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
CID 129007648
5-[1-[(5-cyanofuran-2-yl)methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
CID 129007322

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide?
The IUPAC name of 5-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide (CID 129007668) is 5-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide.
What is the SMILES notation for 5-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide?
The canonical SMILES for 5-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide is CNC(=O)c1ccc(C2CCCCN2Cc2ccc(OC)nc2)n1C.
What is the InChIKey of 5-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide?
The InChIKey is JENGJBWJGWGDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-20-19(24)17-9-8-15(22(17)2)16-6-4-5-11-23(16)13-14-7-10-18(25-3)21-12-14/h7-10,12,16H,4-6,11,13H2,1-3H3,(H,20,24).
What are the key properties of 5-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide?
5-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide is sourced from PubChem (CID 129007668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).