2-methoxy-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-3-carboxamide

C16H25N3O2 — CID 134003012

IUPAC2-methoxy-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)NCCCN1CCCCC1C
InChIInChI=1S/C16H25N3O2/c1-13-7-3-4-11-19(13)12-6-10-17-15(20)14-8-5-9-18-16(14)21-2/h5,8-9,13H,3-4,6-7,10-12H2,1-2H3,(H,17,20)
InChIKeyYWZWOSSGXIAHNE-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.08
Rot. Bonds6

About 2-methoxy-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-3-carboxamide

2-methoxy-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-3-carboxamide (PubChem CID 134003012) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-methoxy-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methoxy-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-3-carboxamide
PubChem CID134003012
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name2-methoxy-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)NCCCN1CCCCC1C
InChIInChI=1S/C16H25N3O2/c1-13-7-3-4-11-19(13)12-6-10-17-15(20)14-8-5-9-18-16(14)21-2/h5,8-9,13H,3-4,6-7,10-12H2,1-2H3,(H,17,20)
InChIKeyYWZWOSSGXIAHNE-UHFFFAOYSA-N
XLogP2.08
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.08
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

3-amino-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-2-carboxamide
CID 104740859
2-fluoro-3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 80710568
2,3,4-trimethoxy-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9472517
1-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-methyl-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine
CID 111370093
2-methoxy-N-(3-piperazin-1-ylpropyl)pyridine-3-carboxamide
CID 62874313
2-amino-N-[4-(2-methylpiperidin-1-yl)butyl]benzamide
CID 119946610
2-methoxy-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyridine-3-carboxamide
CID 39541853
N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 60668475
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-3-carboxamide
CID 51255908
N-(3-chloropropyl)-2-methoxypyridine-3-carboxamide
CID 62873972
3-amino-N-[3-(2-methylpiperidin-1-yl)propyl]pyrazine-2-carboxamide
CID 47140611
N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-1H-pyrazole-5-carboxamide
CID 95281410

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-3-carboxamide?
The IUPAC name of 2-methoxy-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-3-carboxamide (CID 134003012) is 2-methoxy-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-methoxy-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-3-carboxamide?
The canonical SMILES for 2-methoxy-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-3-carboxamide is COc1ncccc1C(=O)NCCCN1CCCCC1C.
What is the InChIKey of 2-methoxy-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-3-carboxamide?
The InChIKey is YWZWOSSGXIAHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-13-7-3-4-11-19(13)12-6-10-17-15(20)14-8-5-9-18-16(14)21-2/h5,8-9,13H,3-4,6-7,10-12H2,1-2H3,(H,17,20).
What are the key properties of 2-methoxy-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-3-carboxamide?
2-methoxy-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-3-carboxamide has a molecular weight of 291.39 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-3-carboxamide is sourced from PubChem (CID 134003012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).