2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoyl-5-methylpyridine-3-carboxamide

C21H33N5O2 — CID 149051942

IUPAC2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoyl-5-methylpyridine-3-carboxamide
SMILES[H]/N=C(\C)NC(=O)c1cc(C)cnc1N1CCC(NC2CCCCC2)C(OC)C1
InChIInChI=1S/C21H33N5O2/c1-14-11-17(21(27)24-15(2)22)20(23-12-14)26-10-9-18(19(13-26)28-3)25-16-7-5-4-6-8-16/h11-12,16,18-19,25H,4-10,13H2,1-3H3,(H2,22,24,27)
InChIKeyQJZLTIRXQSGYJS-UHFFFAOYSA-N
MW387.53 g/mol
LogP2.63
Rot. Bonds5

About 2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoyl-5-methylpyridine-3-carboxamide

2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoyl-5-methylpyridine-3-carboxamide (PubChem CID 149051942) has the molecular formula C21H33N5O2 and a molecular weight of 387.53 g/mol. Its IUPAC name is 2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoyl-5-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoyl-5-methylpyridine-3-carboxamide
PubChem CID149051942
Molecular FormulaC21H33N5O2
Molecular Weight387.53 g/mol
Exact Mass387.26
IUPAC Name2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoyl-5-methylpyridine-3-carboxamide
SMILES[H]/N=C(\C)NC(=O)c1cc(C)cnc1N1CCC(NC2CCCCC2)C(OC)C1
InChIInChI=1S/C21H33N5O2/c1-14-11-17(21(27)24-15(2)22)20(23-12-14)26-10-9-18(19(13-26)28-3)25-16-7-5-4-6-8-16/h11-12,16,18-19,25H,4-10,13H2,1-3H3,(H2,22,24,27)
InChIKeyQJZLTIRXQSGYJS-UHFFFAOYSA-N
XLogP2.63
TPSA90.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoyl-5-methylpyridine-3-carboxamide?
The IUPAC name of 2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoyl-5-methylpyridine-3-carboxamide (CID 149051942) is 2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoyl-5-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoyl-5-methylpyridine-3-carboxamide?
The canonical SMILES for 2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoyl-5-methylpyridine-3-carboxamide is [H]/N=C(\C)NC(=O)c1cc(C)cnc1N1CCC(NC2CCCCC2)C(OC)C1.
What is the InChIKey of 2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoyl-5-methylpyridine-3-carboxamide?
The InChIKey is QJZLTIRXQSGYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O2/c1-14-11-17(21(27)24-15(2)22)20(23-12-14)26-10-9-18(19(13-26)28-3)25-16-7-5-4-6-8-16/h11-12,16,18-19,25H,4-10,13H2,1-3H3,(H2,22,24,27).
What are the key properties of 2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoyl-5-methylpyridine-3-carboxamide?
2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoyl-5-methylpyridine-3-carboxamide has a molecular weight of 387.53 g/mol, XLogP of 2.63, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoyl-5-methylpyridine-3-carboxamide is sourced from PubChem (CID 149051942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).