N-[2-(2-methylphenoxy)ethyl]-6-[1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine-3-carboxamide

C26H30N4O2 — CID 110264343

IUPACN-[2-(2-methylphenoxy)ethyl]-6-[1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine-3-carboxamide
SMILESCc1ccccc1OCCNC(=O)c1ccc(C2CCCN(Cc3ccccn3)C2)nc1
InChIInChI=1S/C26H30N4O2/c1-20-7-2-3-10-25(20)32-16-14-28-26(31)21-11-12-24(29-17-21)22-8-6-15-30(18-22)19-23-9-4-5-13-27-23/h2-5,7,9-13,17,22H,6,8,14-16,18-19H2,1H3,(H,28,31)
InChIKeySAGXRYBDZRUJKS-UHFFFAOYSA-N
MW430.55 g/mol
LogP3.97
Rot. Bonds8

About N-[2-(2-methylphenoxy)ethyl]-6-[1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine-3-carboxamide

N-[2-(2-methylphenoxy)ethyl]-6-[1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine-3-carboxamide (PubChem CID 110264343) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is N-[2-(2-methylphenoxy)ethyl]-6-[1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methylphenoxy)ethyl]-6-[1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine-3-carboxamide
PubChem CID110264343
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC NameN-[2-(2-methylphenoxy)ethyl]-6-[1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine-3-carboxamide
SMILESCc1ccccc1OCCNC(=O)c1ccc(C2CCCN(Cc3ccccn3)C2)nc1
InChIInChI=1S/C26H30N4O2/c1-20-7-2-3-10-25(20)32-16-14-28-26(31)21-11-12-24(29-17-21)22-8-6-15-30(18-22)19-23-9-4-5-13-27-23/h2-5,7,9-13,17,22H,6,8,14-16,18-19H2,1H3,(H,28,31)
InChIKeySAGXRYBDZRUJKS-UHFFFAOYSA-N
XLogP3.97
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 53.97
H-Bond Donors ≤ 51
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 N-[2-(2-methylphenoxy)ethyl]-6-[1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine-3-carboxamide?
The IUPAC name of N-[2-(2-methylphenoxy)ethyl]-6-[1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine-3-carboxamide (CID 110264343) is N-[2-(2-methylphenoxy)ethyl]-6-[1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(2-methylphenoxy)ethyl]-6-[1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(2-methylphenoxy)ethyl]-6-[1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine-3-carboxamide is Cc1ccccc1OCCNC(=O)c1ccc(C2CCCN(Cc3ccccn3)C2)nc1.
What is the InChIKey of N-[2-(2-methylphenoxy)ethyl]-6-[1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine-3-carboxamide?
The InChIKey is SAGXRYBDZRUJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2/c1-20-7-2-3-10-25(20)32-16-14-28-26(31)21-11-12-24(29-17-21)22-8-6-15-30(18-22)19-23-9-4-5-13-27-23/h2-5,7,9-13,17,22H,6,8,14-16,18-19H2,1H3,(H,28,31).
What are the key properties of N-[2-(2-methylphenoxy)ethyl]-6-[1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine-3-carboxamide?
N-[2-(2-methylphenoxy)ethyl]-6-[1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine-3-carboxamide has a molecular weight of 430.55 g/mol, XLogP of 3.97, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylphenoxy)ethyl]-6-[1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 110264343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).