N-[1-(furan-2-yl)-2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N-phenylpyridine-2-carboxamide

C26H23N3O4 — CID 3210858

IUPACN-[1-(furan-2-yl)-2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N-phenylpyridine-2-carboxamide
SMILESCOc1ccc(CNC(=O)C(c2ccco2)N(C(=O)c2ccccn2)c2ccccc2)cc1
InChIInChI=1S/C26H23N3O4/c1-32-21-14-12-19(13-15-21)18-28-25(30)24(23-11-7-17-33-23)29(20-8-3-2-4-9-20)26(31)22-10-5-6-16-27-22/h2-17,24H,18H2,1H3,(H,28,30)
InChIKeyGDUJLSYBLKZWDW-UHFFFAOYSA-N
MW441.49 g/mol
LogP4.39
Rot. Bonds8

About N-[1-(furan-2-yl)-2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N-phenylpyridine-2-carboxamide

N-[1-(furan-2-yl)-2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N-phenylpyridine-2-carboxamide (PubChem CID 3210858) has the molecular formula C26H23N3O4 and a molecular weight of 441.49 g/mol. Its IUPAC name is N-[1-(furan-2-yl)-2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N-phenylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(furan-2-yl)-2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N-phenylpyridine-2-carboxamide
PubChem CID3210858
Molecular FormulaC26H23N3O4
Molecular Weight441.49 g/mol
Exact Mass441.17
IUPAC NameN-[1-(furan-2-yl)-2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N-phenylpyridine-2-carboxamide
SMILESCOc1ccc(CNC(=O)C(c2ccco2)N(C(=O)c2ccccn2)c2ccccc2)cc1
InChIInChI=1S/C26H23N3O4/c1-32-21-14-12-19(13-15-21)18-28-25(30)24(23-11-7-17-33-23)29(20-8-3-2-4-9-20)26(31)22-10-5-6-16-27-22/h2-17,24H,18H2,1H3,(H,28,30)
InChIKeyGDUJLSYBLKZWDW-UHFFFAOYSA-N
XLogP4.39
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.49
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-([1,1'-biphenyl]-4-yl)-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]furan-2-carboxamide
CID 155289416
N-{2-Furan-2-yl-1-[(pyridin-2-ylmethyl)-carbamoyl]-vinyl}-benzamide
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N-[(1Z)-1-(furan-2-yl)-3-oxo-3-{[2-(pyridin-2-yl)ethyl]amino}prop-1-en-2-yl]benzamide
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Linvemastat
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N-(4-butan-2-ylphenyl)-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide
CID 3196508
MAT-POS-f2460aef-1
CID 154878526
ALP-POS-ced8ea4d-12
CID 156906590
LON-WEI-2e27a2e5-1
CID 156907122
ALP-POS-02c6a514-57
CID 156906932
4-{4-Oxo-4H,5H-pyrrolo[1,2-A]quinoxalin-5-YL}-N-{[4-(propan-2-yloxy)phenyl]methyl}butanamide
CID 16018214
N-[2-[(2S)-2-[2-[(4-methoxyphenyl)methylamino]-2-oxoacetyl]pyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide
CID 164624962
Pyridine-2-carboxylic acid [3-(4-isopropoxy-benzoylamino)-propyl]-amide
CID 2985370

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)-2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N-phenylpyridine-2-carboxamide?
The IUPAC name of N-[1-(furan-2-yl)-2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N-phenylpyridine-2-carboxamide (CID 3210858) is N-[1-(furan-2-yl)-2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N-phenylpyridine-2-carboxamide.
What is the SMILES notation for N-[1-(furan-2-yl)-2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N-phenylpyridine-2-carboxamide?
The canonical SMILES for N-[1-(furan-2-yl)-2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N-phenylpyridine-2-carboxamide is COc1ccc(CNC(=O)C(c2ccco2)N(C(=O)c2ccccn2)c2ccccc2)cc1.
What is the InChIKey of N-[1-(furan-2-yl)-2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N-phenylpyridine-2-carboxamide?
The InChIKey is GDUJLSYBLKZWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O4/c1-32-21-14-12-19(13-15-21)18-28-25(30)24(23-11-7-17-33-23)29(20-8-3-2-4-9-20)26(31)22-10-5-6-16-27-22/h2-17,24H,18H2,1H3,(H,28,30).
What are the key properties of N-[1-(furan-2-yl)-2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N-phenylpyridine-2-carboxamide?
N-[1-(furan-2-yl)-2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N-phenylpyridine-2-carboxamide has a molecular weight of 441.49 g/mol, XLogP of 4.39, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)-2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N-phenylpyridine-2-carboxamide is sourced from PubChem (CID 3210858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).