N-(6-methoxy-2-pyridinyl)-4-methylpiperidine-1-carboxamide

C13H19N3O2 — CID 136553411

IUPACN-(6-methoxy-2-pyridinyl)-4-methylpiperidine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCC(C)CC2)n1
InChIInChI=1S/C13H19N3O2/c1-10-6-8-16(9-7-10)13(17)15-11-4-3-5-12(14-11)18-2/h3-5,10H,6-9H2,1-2H3,(H,14,15,17)
InChIKeyWIFSMTFTFWKEAI-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.35
Rot. Bonds2

About N-(6-methoxy-2-pyridinyl)-4-methylpiperidine-1-carboxamide

N-(6-methoxy-2-pyridinyl)-4-methylpiperidine-1-carboxamide (PubChem CID 136553411) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-(6-methoxy-2-pyridinyl)-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(6-methoxy-2-pyridinyl)-4-methylpiperidine-1-carboxamide
PubChem CID136553411
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-(6-methoxy-2-pyridinyl)-4-methylpiperidine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCC(C)CC2)n1
InChIInChI=1S/C13H19N3O2/c1-10-6-8-16(9-7-10)13(17)15-11-4-3-5-12(14-11)18-2/h3-5,10H,6-9H2,1-2H3,(H,14,15,17)
InChIKeyWIFSMTFTFWKEAI-UHFFFAOYSA-N
XLogP2.35
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-2-pyridinyl)-4-methylpiperidine-1-carboxamide?
The IUPAC name of N-(6-methoxy-2-pyridinyl)-4-methylpiperidine-1-carboxamide (CID 136553411) is N-(6-methoxy-2-pyridinyl)-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-(6-methoxy-2-pyridinyl)-4-methylpiperidine-1-carboxamide?
The canonical SMILES for N-(6-methoxy-2-pyridinyl)-4-methylpiperidine-1-carboxamide is COc1cccc(NC(=O)N2CCC(C)CC2)n1.
What is the InChIKey of N-(6-methoxy-2-pyridinyl)-4-methylpiperidine-1-carboxamide?
The InChIKey is WIFSMTFTFWKEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-10-6-8-16(9-7-10)13(17)15-11-4-3-5-12(14-11)18-2/h3-5,10H,6-9H2,1-2H3,(H,14,15,17).
What are the key properties of N-(6-methoxy-2-pyridinyl)-4-methylpiperidine-1-carboxamide?
N-(6-methoxy-2-pyridinyl)-4-methylpiperidine-1-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-2-pyridinyl)-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 136553411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).