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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Related Compounds

N-(2-cyclopentylethyl)-6-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine-3-carboxamide
CID 92636232
N-[[2-(methoxymethyl)phenyl]methyl]-6-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine-3-carboxamide
CID 92622012
N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-6-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine-3-carboxamide
CID 92621934
(4-ethoxypiperidin-1-yl)-[6-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-3-pyridinyl]methanone
CID 92621942
N-[2-(3-hydroxypiperidin-1-yl)ethyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
CID 45231108
N-(cyclohexylmethyl)-3-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 92577417
6-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-1H-pyrazolo[5,4-b]pyridine
CID 125001236
2-[(2-methyl-3-pyridinyl)oxy]-3-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrazine
CID 95843459
4-(2-amino-2-oxoethoxy)-N-[(3R,4R)-4-hydroxy-1-(pyridin-2-ylmethyl)azepan-3-yl]benzamide
CID 26741996
4-methoxy-N-[5-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide
CID 97344523
N-[(3-methyl-2-pyridinyl)methyl]-6-[1-(pyridine-2-carbonyl)piperidin-4-yl]pyridine-3-carboxamide
CID 95834377
N-[2-(2,6-dimethylphenoxy)ethyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 87015098

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).