N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]-N-(4-pyrrol-1-ylphenyl)furan-2-carboxamide

C30H26N4O3 — CID 167098835

IUPACN-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]-N-(4-pyrrol-1-ylphenyl)furan-2-carboxamide
SMILESC[C@H](NC(=O)C(c1cccnc1)N(C(=O)c1ccco1)c1ccc(-n2cccc2)cc1)c1ccccc1
InChIInChI=1S/C30H26N4O3/c1-22(23-9-3-2-4-10-23)32-29(35)28(24-11-7-17-31-21-24)34(30(36)27-12-8-20-37-27)26-15-13-25(14-16-26)33-18-5-6-19-33/h2-22,28H,1H3,(H,32,35)/t22-,28?/m0/s1
InChIKeyWVXFUFQTNVWHME-XYXHBKGXSA-N
MW490.56 g/mol
LogP5.73
Rot. Bonds8

About N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]-N-(4-pyrrol-1-ylphenyl)furan-2-carboxamide

N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]-N-(4-pyrrol-1-ylphenyl)furan-2-carboxamide (PubChem CID 167098835) has the molecular formula C30H26N4O3 and a molecular weight of 490.56 g/mol. Its IUPAC name is N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]-N-(4-pyrrol-1-ylphenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]-N-(4-pyrrol-1-ylphenyl)furan-2-carboxamide
PubChem CID167098835
Molecular FormulaC30H26N4O3
Molecular Weight490.56 g/mol
Exact Mass490.20
IUPAC NameN-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]-N-(4-pyrrol-1-ylphenyl)furan-2-carboxamide
SMILESC[C@H](NC(=O)C(c1cccnc1)N(C(=O)c1ccco1)c1ccc(-n2cccc2)cc1)c1ccccc1
InChIInChI=1S/C30H26N4O3/c1-22(23-9-3-2-4-10-23)32-29(35)28(24-11-7-17-31-21-24)34(30(36)27-12-8-20-37-27)26-15-13-25(14-16-26)33-18-5-6-19-33/h2-22,28H,1H3,(H,32,35)/t22-,28?/m0/s1
InChIKeyWVXFUFQTNVWHME-XYXHBKGXSA-N
XLogP5.73
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.56
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(R)-N-(4-(tert-Butyl)phenyl)-N-(2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl)furan-2-carboxamide
CID 46897844
(R)-N-Methyl-2-(3-((Quinoxalin-6-Ylamino)methyl)furan-2-Carbonyl)-2,3,4,9-Tetrahydro-1h-Pyrido[3,4-B]indole-3-Carboxamide
CID 71656932
N-{2-Furan-2-yl-1-[(pyridin-3-ylmethyl)-carbamoyl]-vinyl}-benzamide
CID 2874943
N-[2-(tert-butylamino)-2-oxo-1-(3-pyridyl)ethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide
CID 44634772
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-{6-[4-(tert-butyl)phenoxy]-3-pyridinyl}-2-furamide
CID 2814271
2-(2-Furoyl)-1-phenyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
CID 4917368
Nmdpef
CID 46861897
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-02c6a514-32
CID 156906917
ALP-POS-02c6a514-44
CID 156906921

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]-N-(4-pyrrol-1-ylphenyl)furan-2-carboxamide?
The IUPAC name of N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]-N-(4-pyrrol-1-ylphenyl)furan-2-carboxamide (CID 167098835) is N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]-N-(4-pyrrol-1-ylphenyl)furan-2-carboxamide.
What is the SMILES notation for N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]-N-(4-pyrrol-1-ylphenyl)furan-2-carboxamide?
The canonical SMILES for N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]-N-(4-pyrrol-1-ylphenyl)furan-2-carboxamide is C[C@H](NC(=O)C(c1cccnc1)N(C(=O)c1ccco1)c1ccc(-n2cccc2)cc1)c1ccccc1.
What is the InChIKey of N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]-N-(4-pyrrol-1-ylphenyl)furan-2-carboxamide?
The InChIKey is WVXFUFQTNVWHME-XYXHBKGXSA-N. The full InChI is InChI=1S/C30H26N4O3/c1-22(23-9-3-2-4-10-23)32-29(35)28(24-11-7-17-31-21-24)34(30(36)27-12-8-20-37-27)26-15-13-25(14-16-26)33-18-5-6-19-33/h2-22,28H,1H3,(H,32,35)/t22-,28?/m0/s1.
What are the key properties of N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]-N-(4-pyrrol-1-ylphenyl)furan-2-carboxamide?
N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]-N-(4-pyrrol-1-ylphenyl)furan-2-carboxamide has a molecular weight of 490.56 g/mol, XLogP of 5.73, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]-N-(4-pyrrol-1-ylphenyl)furan-2-carboxamide is sourced from PubChem (CID 167098835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).