N-[5-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-2-[[1-(2-methylphenyl)piperidin-4-yl]methyl]phenyl]-5-methylfuran-2-carboxamide

C31H35N5O3 — CID 123417192

IUPACN-[5-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-2-[[1-(2-methylphenyl)piperidin-4-yl]methyl]phenyl]-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)Nc2cc(C(=O)NCCc3cnc[nH]3)ccc2CC2CCN(c3ccccc3C)CC2)o1
InChIInChI=1S/C31H35N5O3/c1-21-5-3-4-6-28(21)36-15-12-23(13-16-36)17-24-8-9-25(30(37)33-14-11-26-19-32-20-34-26)18-27(24)35-31(38)29-10-7-22(2)39-29/h3-10,18-20,23H,11-17H2,1-2H3,(H,32,34)(H,33,37)(H,35,38)
InChIKeyOQWNYNLFAAEVPV-UHFFFAOYSA-N
MW525.65 g/mol
LogP5.30
Rot. Bonds9

About N-[5-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-2-[[1-(2-methylphenyl)piperidin-4-yl]methyl]phenyl]-5-methylfuran-2-carboxamide

N-[5-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-2-[[1-(2-methylphenyl)piperidin-4-yl]methyl]phenyl]-5-methylfuran-2-carboxamide (PubChem CID 123417192) has the molecular formula C31H35N5O3 and a molecular weight of 525.65 g/mol. Its IUPAC name is N-[5-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-2-[[1-(2-methylphenyl)piperidin-4-yl]methyl]phenyl]-5-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[5-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-2-[[1-(2-methylphenyl)piperidin-4-yl]methyl]phenyl]-5-methylfuran-2-carboxamide
PubChem CID123417192
Molecular FormulaC31H35N5O3
Molecular Weight525.65 g/mol
Exact Mass525.27
IUPAC NameN-[5-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-2-[[1-(2-methylphenyl)piperidin-4-yl]methyl]phenyl]-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)Nc2cc(C(=O)NCCc3cnc[nH]3)ccc2CC2CCN(c3ccccc3C)CC2)o1
InChIInChI=1S/C31H35N5O3/c1-21-5-3-4-6-28(21)36-15-12-23(13-16-36)17-24-8-9-25(30(37)33-14-11-26-19-32-20-34-26)18-27(24)35-31(38)29-10-7-22(2)39-29/h3-10,18-20,23H,11-17H2,1-2H3,(H,32,34)(H,33,37)(H,35,38)
InChIKeyOQWNYNLFAAEVPV-UHFFFAOYSA-N
XLogP5.30
TPSA103.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.65
LogP ≤ 55.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-(1H-imidazol-2-yl)-2-methylphenyl)-4-(pyridin-2-ylmethoxy)benzamide
CID 25253556
Hedgehog IN-2
CID 67374621
N-[5-(1H-imidazol-4-yl)-2-methylphenyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 67379186
N-[4-fluoro-5-(1H-imidazol-2-yl)-2-methylphenyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 68780150
N-[2-methyl-5-(2-methyl-1H-imidazol-5-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 68780878
Smo-IN-1
CID 70684298
N-[2-methyl-5-(4-methyl-1H-imidazol-5-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 70690618
N-[5-(2,3-dimethylimidazol-4-yl)-2-methylphenyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 141233611
(R)-N-(3-(5-(1-cyclohexyl-2-(methylamino)-2-oxoethylcarbamoyl)furan-2-yl)benzyl)-8-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 49865207
(R)-N-(3-(5-(1-cyclohexyl-2-(methylamino)-2-oxoethylcarbamoyl)furan-2-yl)benzyl)-7-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 49865208
(R)-N-(3-(5-(1-cyclohexyl-2-(methylamino)-2-oxoethylcarbamoyl)furan-2-yl)benzyl)pyrimidine-4-carboxamide
CID 49865381
(R)-2-chloro-N-(3-(5-(1-cyclohexyl-2-(methylamino)-2-oxoethylcarbamoyl)furan-2-yl)benzyl)pyrimidine-4-carboxamide
CID 49865473

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-2-[[1-(2-methylphenyl)piperidin-4-yl]methyl]phenyl]-5-methylfuran-2-carboxamide?
The IUPAC name of N-[5-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-2-[[1-(2-methylphenyl)piperidin-4-yl]methyl]phenyl]-5-methylfuran-2-carboxamide (CID 123417192) is N-[5-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-2-[[1-(2-methylphenyl)piperidin-4-yl]methyl]phenyl]-5-methylfuran-2-carboxamide.
What is the SMILES notation for N-[5-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-2-[[1-(2-methylphenyl)piperidin-4-yl]methyl]phenyl]-5-methylfuran-2-carboxamide?
The canonical SMILES for N-[5-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-2-[[1-(2-methylphenyl)piperidin-4-yl]methyl]phenyl]-5-methylfuran-2-carboxamide is Cc1ccc(C(=O)Nc2cc(C(=O)NCCc3cnc[nH]3)ccc2CC2CCN(c3ccccc3C)CC2)o1.
What is the InChIKey of N-[5-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-2-[[1-(2-methylphenyl)piperidin-4-yl]methyl]phenyl]-5-methylfuran-2-carboxamide?
The InChIKey is OQWNYNLFAAEVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N5O3/c1-21-5-3-4-6-28(21)36-15-12-23(13-16-36)17-24-8-9-25(30(37)33-14-11-26-19-32-20-34-26)18-27(24)35-31(38)29-10-7-22(2)39-29/h3-10,18-20,23H,11-17H2,1-2H3,(H,32,34)(H,33,37)(H,35,38).
What are the key properties of N-[5-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-2-[[1-(2-methylphenyl)piperidin-4-yl]methyl]phenyl]-5-methylfuran-2-carboxamide?
N-[5-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-2-[[1-(2-methylphenyl)piperidin-4-yl]methyl]phenyl]-5-methylfuran-2-carboxamide has a molecular weight of 525.65 g/mol, XLogP of 5.30, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-2-[[1-(2-methylphenyl)piperidin-4-yl]methyl]phenyl]-5-methylfuran-2-carboxamide is sourced from PubChem (CID 123417192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).