N-[1-oxo-3-phenyl-1-(1-pyridin-4-ylethylamino)propan-2-yl]furan-2-carboxamide

C21H21N3O3 — CID 78775920

IUPACN-[1-oxo-3-phenyl-1-(1-pyridin-4-ylethylamino)propan-2-yl]furan-2-carboxamide
SMILESCC(NC(=O)C(Cc1ccccc1)NC(=O)c1ccco1)c1ccncc1
InChIInChI=1S/C21H21N3O3/c1-15(17-9-11-22-12-10-17)23-20(25)18(14-16-6-3-2-4-7-16)24-21(26)19-8-5-13-27-19/h2-13,15,18H,14H2,1H3,(H,23,25)(H,24,26)
InChIKeyFUCJHYOBXKRXJY-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.89
Rot. Bonds7

About N-[1-oxo-3-phenyl-1-(1-pyridin-4-ylethylamino)propan-2-yl]furan-2-carboxamide

N-[1-oxo-3-phenyl-1-(1-pyridin-4-ylethylamino)propan-2-yl]furan-2-carboxamide (PubChem CID 78775920) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-[1-oxo-3-phenyl-1-(1-pyridin-4-ylethylamino)propan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-oxo-3-phenyl-1-(1-pyridin-4-ylethylamino)propan-2-yl]furan-2-carboxamide
PubChem CID78775920
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC NameN-[1-oxo-3-phenyl-1-(1-pyridin-4-ylethylamino)propan-2-yl]furan-2-carboxamide
SMILESCC(NC(=O)C(Cc1ccccc1)NC(=O)c1ccco1)c1ccncc1
InChIInChI=1S/C21H21N3O3/c1-15(17-9-11-22-12-10-17)23-20(25)18(14-16-6-3-2-4-7-16)24-21(26)19-8-5-13-27-19/h2-13,15,18H,14H2,1H3,(H,23,25)(H,24,26)
InChIKeyFUCJHYOBXKRXJY-UHFFFAOYSA-N
XLogP2.89
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-methyl-1-oxo-1-(1-pyridin-4-ylethylamino)butan-2-yl]furan-2-carboxamide
CID 78775760
3-[[2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]butanoic acid
CID 119220848
N-[(2R)-1-[2-(2-methylpropanoylamino)ethylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 31011970
N-[(2R)-1-[[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 41083383
N-[1-(5-methylhexan-2-ylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 78768077
2-[[2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]butanoic acid
CID 119223465
N-[(2R)-1-[[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 51937998
N-[(2S)-1-oxo-3-phenyl-1-(prop-2-ynylamino)propan-2-yl]furan-2-carboxamide
CID 30600892
N-[1-(cyanomethylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 71934697
N-[1-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 112764329
2-[[(2S)-2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]acetic acid
CID 124704803
3-pyridin-4-ylpropyl 2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 78772298

Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-3-phenyl-1-(1-pyridin-4-ylethylamino)propan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[1-oxo-3-phenyl-1-(1-pyridin-4-ylethylamino)propan-2-yl]furan-2-carboxamide (CID 78775920) is N-[1-oxo-3-phenyl-1-(1-pyridin-4-ylethylamino)propan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-oxo-3-phenyl-1-(1-pyridin-4-ylethylamino)propan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-oxo-3-phenyl-1-(1-pyridin-4-ylethylamino)propan-2-yl]furan-2-carboxamide is CC(NC(=O)C(Cc1ccccc1)NC(=O)c1ccco1)c1ccncc1.
What is the InChIKey of N-[1-oxo-3-phenyl-1-(1-pyridin-4-ylethylamino)propan-2-yl]furan-2-carboxamide?
The InChIKey is FUCJHYOBXKRXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-15(17-9-11-22-12-10-17)23-20(25)18(14-16-6-3-2-4-7-16)24-21(26)19-8-5-13-27-19/h2-13,15,18H,14H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N-[1-oxo-3-phenyl-1-(1-pyridin-4-ylethylamino)propan-2-yl]furan-2-carboxamide?
N-[1-oxo-3-phenyl-1-(1-pyridin-4-ylethylamino)propan-2-yl]furan-2-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-oxo-3-phenyl-1-(1-pyridin-4-ylethylamino)propan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 78775920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).