N-[1-oxo-1-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propylamino]-3-phenylpropan-2-yl]furan-2-carboxamide

C23H23N5O4 — CID 55862998

IUPACN-[1-oxo-1-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propylamino]-3-phenylpropan-2-yl]furan-2-carboxamide
SMILESO=C(NC(Cc1ccccc1)C(=O)NCCCn1nc2ccccn2c1=O)c1ccco1
InChIInChI=1S/C23H23N5O4/c29-21(24-12-7-14-28-23(31)27-13-5-4-11-20(27)26-28)18(16-17-8-2-1-3-9-17)25-22(30)19-10-6-15-32-19/h1-6,8-11,13,15,18H,7,12,14,16H2,(H,24,29)(H,25,30)
InChIKeyJFLWRIJDULAOCZ-UHFFFAOYSA-N
MW433.47 g/mol
LogP1.64
Rot. Bonds9

About N-[1-oxo-1-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propylamino]-3-phenylpropan-2-yl]furan-2-carboxamide

N-[1-oxo-1-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propylamino]-3-phenylpropan-2-yl]furan-2-carboxamide (PubChem CID 55862998) has the molecular formula C23H23N5O4 and a molecular weight of 433.47 g/mol. Its IUPAC name is N-[1-oxo-1-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propylamino]-3-phenylpropan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-oxo-1-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propylamino]-3-phenylpropan-2-yl]furan-2-carboxamide
PubChem CID55862998
Molecular FormulaC23H23N5O4
Molecular Weight433.47 g/mol
Exact Mass433.18
IUPAC NameN-[1-oxo-1-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propylamino]-3-phenylpropan-2-yl]furan-2-carboxamide
SMILESO=C(NC(Cc1ccccc1)C(=O)NCCCn1nc2ccccn2c1=O)c1ccco1
InChIInChI=1S/C23H23N5O4/c29-21(24-12-7-14-28-23(31)27-13-5-4-11-20(27)26-28)18(16-17-8-2-1-3-9-17)25-22(30)19-10-6-15-32-19/h1-6,8-11,13,15,18H,7,12,14,16H2,(H,24,29)(H,25,30)
InChIKeyJFLWRIJDULAOCZ-UHFFFAOYSA-N
XLogP1.64
TPSA110.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-[3-(4-methylpiperidin-1-yl)propylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 46523666
N-[(2R)-1-[2-(2-methylpropanoylamino)ethylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 31011970
2-[2-[[2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]ethylsulfanyl]acetic acid
CID 119241703
1-[(2R)-butan-2-yl]-3-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]urea
CID 94796607
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
2-[[2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]butanoic acid
CID 119223465
2-[[(2S)-2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]acetic acid
CID 124704803
(2R)-2-(diethylamino)-3-methyl-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]butanamide
CID 95327050
N-[1-[(2-amino-2-methylpropyl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 119629009
N-[(2R)-4-methylsulfanyl-1-oxo-1-(3-pyrazol-1-ylpropylamino)butan-2-yl]furan-2-carboxamide
CID 37393255
2-(3,4-dichlorophenyl)-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]acetamide
CID 60565783

Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-1-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propylamino]-3-phenylpropan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[1-oxo-1-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propylamino]-3-phenylpropan-2-yl]furan-2-carboxamide (CID 55862998) is N-[1-oxo-1-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propylamino]-3-phenylpropan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-oxo-1-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propylamino]-3-phenylpropan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-oxo-1-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propylamino]-3-phenylpropan-2-yl]furan-2-carboxamide is O=C(NC(Cc1ccccc1)C(=O)NCCCn1nc2ccccn2c1=O)c1ccco1.
What is the InChIKey of N-[1-oxo-1-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propylamino]-3-phenylpropan-2-yl]furan-2-carboxamide?
The InChIKey is JFLWRIJDULAOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O4/c29-21(24-12-7-14-28-23(31)27-13-5-4-11-20(27)26-28)18(16-17-8-2-1-3-9-17)25-22(30)19-10-6-15-32-19/h1-6,8-11,13,15,18H,7,12,14,16H2,(H,24,29)(H,25,30).
What are the key properties of N-[1-oxo-1-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propylamino]-3-phenylpropan-2-yl]furan-2-carboxamide?
N-[1-oxo-1-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propylamino]-3-phenylpropan-2-yl]furan-2-carboxamide has a molecular weight of 433.47 g/mol, XLogP of 1.64, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-oxo-1-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propylamino]-3-phenylpropan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 55862998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).