3-anilino-N-[(6-methoxy-3-pyridinyl)methyl]piperidine-1-carboxamide

C19H24N4O2 — CID 71968648

IUPAC3-anilino-N-[(6-methoxy-3-pyridinyl)methyl]piperidine-1-carboxamide
SMILESCOc1ccc(CNC(=O)N2CCCC(Nc3ccccc3)C2)cn1
InChIInChI=1S/C19H24N4O2/c1-25-18-10-9-15(12-20-18)13-21-19(24)23-11-5-8-17(14-23)22-16-6-3-2-4-7-16/h2-4,6-7,9-10,12,17,22H,5,8,11,13-14H2,1H3,(H,21,24)
InChIKeyWJIDSUDFSJSYRT-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.88
Rot. Bonds5

About 3-anilino-N-[(6-methoxy-3-pyridinyl)methyl]piperidine-1-carboxamide

3-anilino-N-[(6-methoxy-3-pyridinyl)methyl]piperidine-1-carboxamide (PubChem CID 71968648) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 3-anilino-N-[(6-methoxy-3-pyridinyl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-anilino-N-[(6-methoxy-3-pyridinyl)methyl]piperidine-1-carboxamide
PubChem CID71968648
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name3-anilino-N-[(6-methoxy-3-pyridinyl)methyl]piperidine-1-carboxamide
SMILESCOc1ccc(CNC(=O)N2CCCC(Nc3ccccc3)C2)cn1
InChIInChI=1S/C19H24N4O2/c1-25-18-10-9-15(12-20-18)13-21-19(24)23-11-5-8-17(14-23)22-16-6-3-2-4-7-16/h2-4,6-7,9-10,12,17,22H,5,8,11,13-14H2,1H3,(H,21,24)
InChIKeyWJIDSUDFSJSYRT-UHFFFAOYSA-N
XLogP2.88
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-anilino-N-[(6-methoxy-3-pyridinyl)methyl]piperidine-1-carboxamide?
The IUPAC name of 3-anilino-N-[(6-methoxy-3-pyridinyl)methyl]piperidine-1-carboxamide (CID 71968648) is 3-anilino-N-[(6-methoxy-3-pyridinyl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-anilino-N-[(6-methoxy-3-pyridinyl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 3-anilino-N-[(6-methoxy-3-pyridinyl)methyl]piperidine-1-carboxamide is COc1ccc(CNC(=O)N2CCCC(Nc3ccccc3)C2)cn1.
What is the InChIKey of 3-anilino-N-[(6-methoxy-3-pyridinyl)methyl]piperidine-1-carboxamide?
The InChIKey is WJIDSUDFSJSYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-25-18-10-9-15(12-20-18)13-21-19(24)23-11-5-8-17(14-23)22-16-6-3-2-4-7-16/h2-4,6-7,9-10,12,17,22H,5,8,11,13-14H2,1H3,(H,21,24).
What are the key properties of 3-anilino-N-[(6-methoxy-3-pyridinyl)methyl]piperidine-1-carboxamide?
3-anilino-N-[(6-methoxy-3-pyridinyl)methyl]piperidine-1-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-N-[(6-methoxy-3-pyridinyl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 71968648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).