N-[2-(benzylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-phenylpyridine-2-carboxamide

C26H23N3O3 — CID 24792454

IUPACN-[2-(benzylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-phenylpyridine-2-carboxamide
SMILESCc1ccc(C(C(=O)NCc2ccccc2)N(C(=O)c2ccccn2)c2ccccc2)o1
InChIInChI=1S/C26H23N3O3/c1-19-15-16-23(32-19)24(25(30)28-18-20-10-4-2-5-11-20)29(21-12-6-3-7-13-21)26(31)22-14-8-9-17-27-22/h2-17,24H,18H2,1H3,(H,28,30)
InChIKeyWTSANYLHKUWERP-UHFFFAOYSA-N
MW425.49 g/mol
LogP4.69
Rot. Bonds7

About N-[2-(benzylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-phenylpyridine-2-carboxamide

N-[2-(benzylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-phenylpyridine-2-carboxamide (PubChem CID 24792454) has the molecular formula C26H23N3O3 and a molecular weight of 425.49 g/mol. Its IUPAC name is N-[2-(benzylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-phenylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(benzylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-phenylpyridine-2-carboxamide
PubChem CID24792454
Molecular FormulaC26H23N3O3
Molecular Weight425.49 g/mol
Exact Mass425.17
IUPAC NameN-[2-(benzylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-phenylpyridine-2-carboxamide
SMILESCc1ccc(C(C(=O)NCc2ccccc2)N(C(=O)c2ccccn2)c2ccccc2)o1
InChIInChI=1S/C26H23N3O3/c1-19-15-16-23(32-19)24(25(30)28-18-20-10-4-2-5-11-20)29(21-12-6-3-7-13-21)26(31)22-14-8-9-17-27-22/h2-17,24H,18H2,1H3,(H,28,30)
InChIKeyWTSANYLHKUWERP-UHFFFAOYSA-N
XLogP4.69
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(benzylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-phenylpyridine-2-carboxamide?
The IUPAC name of N-[2-(benzylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-phenylpyridine-2-carboxamide (CID 24792454) is N-[2-(benzylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-phenylpyridine-2-carboxamide.
What is the SMILES notation for N-[2-(benzylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-phenylpyridine-2-carboxamide?
The canonical SMILES for N-[2-(benzylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-phenylpyridine-2-carboxamide is Cc1ccc(C(C(=O)NCc2ccccc2)N(C(=O)c2ccccn2)c2ccccc2)o1.
What is the InChIKey of N-[2-(benzylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-phenylpyridine-2-carboxamide?
The InChIKey is WTSANYLHKUWERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O3/c1-19-15-16-23(32-19)24(25(30)28-18-20-10-4-2-5-11-20)29(21-12-6-3-7-13-21)26(31)22-14-8-9-17-27-22/h2-17,24H,18H2,1H3,(H,28,30).
What are the key properties of N-[2-(benzylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-phenylpyridine-2-carboxamide?
N-[2-(benzylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-phenylpyridine-2-carboxamide has a molecular weight of 425.49 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-phenylpyridine-2-carboxamide is sourced from PubChem (CID 24792454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).