N-[[4-[5-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentylpyridine-2-carboxamide

C38H49N5O3 — CID 59688869

IUPACN-[[4-[5-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentylpyridine-2-carboxamide
SMILESCCCCCc1ccc(C(=O)N(Cc2ccc(-c3noc(Cc4ccc(OC)cc4)n3)cc2)C2CCN(CCC(C)C)CC2)nc1
InChIInChI=1S/C38H49N5O3/c1-5-6-7-8-30-13-18-35(39-26-30)38(44)43(33-20-23-42(24-21-33)22-19-28(2)3)27-31-9-14-32(15-10-31)37-40-36(46-41-37)25-29-11-16-34(45-4)17-12-29/h9-18,26,28,33H,5-8,19-25,27H2,1-4H3
InChIKeyHTSFKCHZXHYIFM-UHFFFAOYSA-N
MW623.84 g/mol
LogP7.62
Rot. Bonds15

About N-[[4-[5-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentylpyridine-2-carboxamide

N-[[4-[5-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentylpyridine-2-carboxamide (PubChem CID 59688869) has the molecular formula C38H49N5O3 and a molecular weight of 623.84 g/mol. Its IUPAC name is N-[[4-[5-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-[5-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentylpyridine-2-carboxamide
PubChem CID59688869
Molecular FormulaC38H49N5O3
Molecular Weight623.84 g/mol
Exact Mass623.38
IUPAC NameN-[[4-[5-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentylpyridine-2-carboxamide
SMILESCCCCCc1ccc(C(=O)N(Cc2ccc(-c3noc(Cc4ccc(OC)cc4)n3)cc2)C2CCN(CCC(C)C)CC2)nc1
InChIInChI=1S/C38H49N5O3/c1-5-6-7-8-30-13-18-35(39-26-30)38(44)43(33-20-23-42(24-21-33)22-19-28(2)3)27-31-9-14-32(15-10-31)37-40-36(46-41-37)25-29-11-16-34(45-4)17-12-29/h9-18,26,28,33H,5-8,19-25,27H2,1-4H3
InChIKeyHTSFKCHZXHYIFM-UHFFFAOYSA-N
XLogP7.62
TPSA84.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.84
LogP ≤ 57.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[5-(3-Methoxy-phenyl)-[1,2,4]oxadiazol-3-yl]-pyridine
CID 789864
2-Methoxy-6-phenyl-3-[5-(pyridin-3-yl)-1,2,4-oxadiazol-3-yl]pyridine
CID 663734
3-(2-Methoxy-6-(4-methoxyphenyl)pyridin-3-yl)-5-phenyl-1,2,4-oxadiazole
CID 664083
N-{4-[5-(4-methoxybenzyl)-1,2,4-oxadiazol-3-yl]phenyl}nicotinamide
CID 3242078
2-[5-(2-Methoxyphenyl)-1,2,4-oxadiazol-3-YL]pyridine
CID 912656
N-[(2R)-1-[4-[3-[3-fluoro-4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenoxy]propyl]piperazin-1-yl]-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 44373847
N-[(R)-2-(4-{3-[4-(5-Cyclopentylmethyl-[1,2,4]oxadiazol-3-yl)-3-fluoro-phenoxy]-propyl}-piperazin-1-yl)-1-methyl-2-oxo-ethyl]-2-(1,6-dihydro-pyridin-3-yl)-acetamide
CID 44374378
N-methyl-4-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]pyridine-2-carboxamide
CID 138549833
4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-methylpyridine-2-carboxamide
CID 138549835
N-methyl-4-[6-(5-methyl-1,2,4-oxadiazol-3-yl)naphthalen-2-yl]oxypyridine-2-carboxamide
CID 138549837
4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-methylpyridine-2-carboxamide
CID 138549840
N,N-dimethyl-4-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]pyridine-2-carboxamide
CID 138549843

Frequently Asked Questions

What is the IUPAC name of N-[[4-[5-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentylpyridine-2-carboxamide?
The IUPAC name of N-[[4-[5-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentylpyridine-2-carboxamide (CID 59688869) is N-[[4-[5-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentylpyridine-2-carboxamide.
What is the SMILES notation for N-[[4-[5-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentylpyridine-2-carboxamide?
The canonical SMILES for N-[[4-[5-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentylpyridine-2-carboxamide is CCCCCc1ccc(C(=O)N(Cc2ccc(-c3noc(Cc4ccc(OC)cc4)n3)cc2)C2CCN(CCC(C)C)CC2)nc1.
What is the InChIKey of N-[[4-[5-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentylpyridine-2-carboxamide?
The InChIKey is HTSFKCHZXHYIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H49N5O3/c1-5-6-7-8-30-13-18-35(39-26-30)38(44)43(33-20-23-42(24-21-33)22-19-28(2)3)27-31-9-14-32(15-10-31)37-40-36(46-41-37)25-29-11-16-34(45-4)17-12-29/h9-18,26,28,33H,5-8,19-25,27H2,1-4H3.
What are the key properties of N-[[4-[5-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentylpyridine-2-carboxamide?
N-[[4-[5-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentylpyridine-2-carboxamide has a molecular weight of 623.84 g/mol, XLogP of 7.62, 15 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[5-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentylpyridine-2-carboxamide is sourced from PubChem (CID 59688869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).