5-[[(4-tert-butylphenyl)methyl-propan-2-ylamino]methyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide

C26H33N3O2 — CID 5023437

IUPAC5-[[(4-tert-butylphenyl)methyl-propan-2-ylamino]methyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide
SMILESCC(C)N(Cc1ccc(C(C)(C)C)cc1)Cc1ccc(C(=O)NCc2ccccn2)o1
InChIInChI=1S/C26H33N3O2/c1-19(2)29(17-20-9-11-21(12-10-20)26(3,4)5)18-23-13-14-24(31-23)25(30)28-16-22-8-6-7-15-27-22/h6-15,19H,16-18H2,1-5H3,(H,28,30)
InChIKeyPELYNGALWSCPSX-UHFFFAOYSA-N
MW419.57 g/mol
LogP5.31
Rot. Bonds8

About 5-[[(4-tert-butylphenyl)methyl-propan-2-ylamino]methyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide

5-[[(4-tert-butylphenyl)methyl-propan-2-ylamino]methyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide (PubChem CID 5023437) has the molecular formula C26H33N3O2 and a molecular weight of 419.57 g/mol. Its IUPAC name is 5-[[(4-tert-butylphenyl)methyl-propan-2-ylamino]methyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[[(4-tert-butylphenyl)methyl-propan-2-ylamino]methyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide
PubChem CID5023437
Molecular FormulaC26H33N3O2
Molecular Weight419.57 g/mol
Exact Mass419.26
IUPAC Name5-[[(4-tert-butylphenyl)methyl-propan-2-ylamino]methyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide
SMILESCC(C)N(Cc1ccc(C(C)(C)C)cc1)Cc1ccc(C(=O)NCc2ccccn2)o1
InChIInChI=1S/C26H33N3O2/c1-19(2)29(17-20-9-11-21(12-10-20)26(3,4)5)18-23-13-14-24(31-23)25(30)28-16-22-8-6-7-15-27-22/h6-15,19H,16-18H2,1-5H3,(H,28,30)
InChIKeyPELYNGALWSCPSX-UHFFFAOYSA-N
XLogP5.31
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.57
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(4-tert-butylphenyl)methyl-propan-2-ylamino]methyl]-N-(furan-2-ylmethyl)furan-2-carboxamide
CID 42750797
5-(methoxymethyl)-N-(pyridin-2-ylmethyl)furan-2-carboxamide
CID 78827581
5-(1-chloroethyl)-N-(pyridin-2-ylmethyl)furan-2-carboxamide
CID 82109061
N-benzyl-2,2-dimethyl-N-propan-2-yl-N'-(pyridin-2-ylmethyl)propanediamide
CID 108963371
5-[[(3-methylphenyl)methyl-propan-2-ylamino]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]furan-2-carboxamide
CID 3346175
5-[(2,5-dimethylphenoxy)methyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide
CID 35337267
4-(2-methylpropyl)-N-(pyridin-2-ylmethyl)benzamide;molecular hydrogen
CID 142259068
4-tert-butyl-N-(pyridin-2-ylmethylcarbamoyl)-N-sulfanylbenzamide
CID 89499214
5-tert-butyl-2-methoxy-N-(pyridin-2-ylmethyl)benzamide
CID 110761323
2-[[(4-tert-butylphenyl)methyl-propan-2-ylamino]methyl]-N-[(4-fluorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 42834971
5-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide
CID 46055568
2-(4-tert-butyl-N-methylanilino)-2-pyridin-3-yl-N-(pyridin-2-ylmethyl)acetamide
CID 156893603

Frequently Asked Questions

What is the IUPAC name of 5-[[(4-tert-butylphenyl)methyl-propan-2-ylamino]methyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide?
The IUPAC name of 5-[[(4-tert-butylphenyl)methyl-propan-2-ylamino]methyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide (CID 5023437) is 5-[[(4-tert-butylphenyl)methyl-propan-2-ylamino]methyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for 5-[[(4-tert-butylphenyl)methyl-propan-2-ylamino]methyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide?
The canonical SMILES for 5-[[(4-tert-butylphenyl)methyl-propan-2-ylamino]methyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide is CC(C)N(Cc1ccc(C(C)(C)C)cc1)Cc1ccc(C(=O)NCc2ccccn2)o1.
What is the InChIKey of 5-[[(4-tert-butylphenyl)methyl-propan-2-ylamino]methyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide?
The InChIKey is PELYNGALWSCPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O2/c1-19(2)29(17-20-9-11-21(12-10-20)26(3,4)5)18-23-13-14-24(31-23)25(30)28-16-22-8-6-7-15-27-22/h6-15,19H,16-18H2,1-5H3,(H,28,30).
What are the key properties of 5-[[(4-tert-butylphenyl)methyl-propan-2-ylamino]methyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide?
5-[[(4-tert-butylphenyl)methyl-propan-2-ylamino]methyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide has a molecular weight of 419.57 g/mol, XLogP of 5.31, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(4-tert-butylphenyl)methyl-propan-2-ylamino]methyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 5023437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).