2-(2-methoxyethylamino)-N-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]pyridine-4-carboxamide

C24H34N4O2 — CID 142855540

IUPAC2-(2-methoxyethylamino)-N-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]pyridine-4-carboxamide
SMILESCOCCNc1cc(C(=O)NCCN2CCC(CCc3ccccc3)CC2)ccn1
InChIInChI=1S/C24H34N4O2/c1-30-18-14-26-23-19-22(9-12-25-23)24(29)27-13-17-28-15-10-21(11-16-28)8-7-20-5-3-2-4-6-20/h2-6,9,12,19,21H,7-8,10-11,13-18H2,1H3,(H,25,26)(H,27,29)
InChIKeyCATAQKGLGXTEHJ-UHFFFAOYSA-N
MW410.56 g/mol
LogP3.21
Rot. Bonds11

About 2-(2-methoxyethylamino)-N-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]pyridine-4-carboxamide

2-(2-methoxyethylamino)-N-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]pyridine-4-carboxamide (PubChem CID 142855540) has the molecular formula C24H34N4O2 and a molecular weight of 410.56 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-N-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-N-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]pyridine-4-carboxamide
PubChem CID142855540
Molecular FormulaC24H34N4O2
Molecular Weight410.56 g/mol
Exact Mass410.27
IUPAC Name2-(2-methoxyethylamino)-N-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]pyridine-4-carboxamide
SMILESCOCCNc1cc(C(=O)NCCN2CCC(CCc3ccccc3)CC2)ccn1
InChIInChI=1S/C24H34N4O2/c1-30-18-14-26-23-19-22(9-12-25-23)24(29)27-13-17-28-15-10-21(11-16-28)8-7-20-5-3-2-4-6-20/h2-6,9,12,19,21H,7-8,10-11,13-18H2,1H3,(H,25,26)(H,27,29)
InChIKeyCATAQKGLGXTEHJ-UHFFFAOYSA-N
XLogP3.21
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-N-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]pyridine-4-carboxamide?
The IUPAC name of 2-(2-methoxyethylamino)-N-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]pyridine-4-carboxamide (CID 142855540) is 2-(2-methoxyethylamino)-N-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(2-methoxyethylamino)-N-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(2-methoxyethylamino)-N-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]pyridine-4-carboxamide is COCCNc1cc(C(=O)NCCN2CCC(CCc3ccccc3)CC2)ccn1.
What is the InChIKey of 2-(2-methoxyethylamino)-N-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]pyridine-4-carboxamide?
The InChIKey is CATAQKGLGXTEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O2/c1-30-18-14-26-23-19-22(9-12-25-23)24(29)27-13-17-28-15-10-21(11-16-28)8-7-20-5-3-2-4-6-20/h2-6,9,12,19,21H,7-8,10-11,13-18H2,1H3,(H,25,26)(H,27,29).
What are the key properties of 2-(2-methoxyethylamino)-N-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]pyridine-4-carboxamide?
2-(2-methoxyethylamino)-N-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]pyridine-4-carboxamide has a molecular weight of 410.56 g/mol, XLogP of 3.21, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-N-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 142855540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).