5-(4-methylphenyl)-N-[[3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]pyridine-2-carboxamide

C26H29N3O2 — CID 143500950

IUPAC5-(4-methylphenyl)-N-[[3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]pyridine-2-carboxamide
SMILESCc1ccc(-c2ccc(C(=O)NCc3cccc(OC4CCN(C)CC4)c3)nc2)cc1
InChIInChI=1S/C26H29N3O2/c1-19-6-8-21(9-7-19)22-10-11-25(27-18-22)26(30)28-17-20-4-3-5-24(16-20)31-23-12-14-29(2)15-13-23/h3-11,16,18,23H,12-15,17H2,1-2H3,(H,28,30)
InChIKeyNMZIWDUWQKSWED-UHFFFAOYSA-N
MW415.54 g/mol
LogP4.46
Rot. Bonds6

About 5-(4-methylphenyl)-N-[[3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]pyridine-2-carboxamide

5-(4-methylphenyl)-N-[[3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]pyridine-2-carboxamide (PubChem CID 143500950) has the molecular formula C26H29N3O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is 5-(4-methylphenyl)-N-[[3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(4-methylphenyl)-N-[[3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]pyridine-2-carboxamide
PubChem CID143500950
Molecular FormulaC26H29N3O2
Molecular Weight415.54 g/mol
Exact Mass415.23
IUPAC Name5-(4-methylphenyl)-N-[[3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]pyridine-2-carboxamide
SMILESCc1ccc(-c2ccc(C(=O)NCc3cccc(OC4CCN(C)CC4)c3)nc2)cc1
InChIInChI=1S/C26H29N3O2/c1-19-6-8-21(9-7-19)22-10-11-25(27-18-22)26(30)28-17-20-4-3-5-24(16-20)31-23-12-14-29(2)15-13-23/h3-11,16,18,23H,12-15,17H2,1-2H3,(H,28,30)
InChIKeyNMZIWDUWQKSWED-UHFFFAOYSA-N
XLogP4.46
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-[(1S)-3-(methylamino)cycloheptyl]oxyphenyl]methyl]-5-phenylpyridine-2-carboxamide
CID 143500957
2-benzyl-N-[[3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]benzamide
CID 69193811
N-[[3-[[(2R,4S,6R)-1-azatricyclo[4.3.0.02,8]nonan-4-yl]oxy]phenyl]methyl]-5-(3-methoxyphenyl)pyridine-2-carboxamide
CID 71177555
N-[(3-hydroxyphenyl)methyl]-5-phenylpyridine-2-carboxamide;8-methyl-8-azabicyclo[3.2.1]octane
CID 143500931
N-[(3-methoxyphenyl)methyl]-1-methylpiperidine-4-carboxamide
CID 70985796
5-(4-methylanilino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 109188420
5-bromo-N-[(3-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 62954224
2-methyl-3-[3-(1-methylpiperidin-4-yl)oxyphenyl]propanoic acid
CID 117444550
6-(4-methoxyphenyl)-N-[[3-[[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]phenyl]methyl]pyridine-3-carboxamide
CID 23728803
[3-(1-methylpiperidin-4-yl)oxyphenyl]methanamine;hydrochloride
CID 68965595
5-(aminomethyl)-N-[(3-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 63724046
N-[[3-(methylamino)phenyl]methyl]-4-[4-[[4-[1-(4-methylbenzoyl)piperidin-4-yl]oxyphenyl]methoxy]phenyl]benzamide
CID 176753487

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-N-[[3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]pyridine-2-carboxamide?
The IUPAC name of 5-(4-methylphenyl)-N-[[3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]pyridine-2-carboxamide (CID 143500950) is 5-(4-methylphenyl)-N-[[3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-(4-methylphenyl)-N-[[3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-(4-methylphenyl)-N-[[3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]pyridine-2-carboxamide is Cc1ccc(-c2ccc(C(=O)NCc3cccc(OC4CCN(C)CC4)c3)nc2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-N-[[3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]pyridine-2-carboxamide?
The InChIKey is NMZIWDUWQKSWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O2/c1-19-6-8-21(9-7-19)22-10-11-25(27-18-22)26(30)28-17-20-4-3-5-24(16-20)31-23-12-14-29(2)15-13-23/h3-11,16,18,23H,12-15,17H2,1-2H3,(H,28,30).
What are the key properties of 5-(4-methylphenyl)-N-[[3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]pyridine-2-carboxamide?
5-(4-methylphenyl)-N-[[3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]pyridine-2-carboxamide has a molecular weight of 415.54 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-N-[[3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 143500950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).