3-(5-methylfuran-2-yl)-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]prop-2-enamide

C15H17N5O3 — CID 126799870

IUPAC3-(5-methylfuran-2-yl)-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]prop-2-enamide
SMILESCc1ccc(C=CC(=O)Nc2n[nH]nc2C(=O)N2CCCC2)o1
InChIInChI=1S/C15H17N5O3/c1-10-4-5-11(23-10)6-7-12(21)16-14-13(17-19-18-14)15(22)20-8-2-3-9-20/h4-7H,2-3,8-9H2,1H3,(H2,16,17,18,19,21)
InChIKeyLNMGBAPUBUQDBS-UHFFFAOYSA-N
MW315.33 g/mol
LogP1.59
Rot. Bonds4

About 3-(5-methylfuran-2-yl)-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]prop-2-enamide

3-(5-methylfuran-2-yl)-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]prop-2-enamide (PubChem CID 126799870) has the molecular formula C15H17N5O3 and a molecular weight of 315.33 g/mol. Its IUPAC name is 3-(5-methylfuran-2-yl)-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]prop-2-enamide.

Molecular Properties

Compound Name3-(5-methylfuran-2-yl)-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]prop-2-enamide
PubChem CID126799870
Molecular FormulaC15H17N5O3
Molecular Weight315.33 g/mol
Exact Mass315.13
IUPAC Name3-(5-methylfuran-2-yl)-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]prop-2-enamide
SMILESCc1ccc(C=CC(=O)Nc2n[nH]nc2C(=O)N2CCCC2)o1
InChIInChI=1S/C15H17N5O3/c1-10-4-5-11(23-10)6-7-12(21)16-14-13(17-19-18-14)15(22)20-8-2-3-9-20/h4-7H,2-3,8-9H2,1H3,(H2,16,17,18,19,21)
InChIKeyLNMGBAPUBUQDBS-UHFFFAOYSA-N
XLogP1.59
TPSA104.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-1-(azepan-1-yl)-3-(5-methylfuran-2-yl)prop-2-en-1-one
CID 874177
2-[3-(5-methylfuran-2-yl)prop-2-enoylamino]pyridine-3-carboxylic acid
CID 77003732
(E)-3-(5-methylfuran-2-yl)-N-[2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]phenyl]prop-2-enamide
CID 1291262
3-(5-methylfuran-2-yl)-N-(1H-pyrazol-5-yl)prop-2-enamide
CID 61393608
(E)-3-(5-methylfuran-2-yl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]prop-2-enamide
CID 56786269
N-(4-acetylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 712902
(E)-N-[2,2-dimethyl-3-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]propyl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 2165350
(E)-3-(5-methylfuran-2-yl)-N-(4-methylpiperidine-1-carbothioyl)prop-2-enamide
CID 922634
(E)-3-(5-methylfuran-2-yl)-N-[3-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]propyl]prop-2-enamide
CID 6074056
(E)-3-(5-methylfuran-2-yl)-N-(3-piperidin-1-ylsulfonylphenyl)prop-2-enamide
CID 26592569
(E)-N-[(3S)-1-benzoylpiperidin-3-yl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 95284463
1-methyl-6-oxo-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]pyridine-2-carboxamide
CID 166230701

Frequently Asked Questions

What is the IUPAC name of 3-(5-methylfuran-2-yl)-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]prop-2-enamide?
The IUPAC name of 3-(5-methylfuran-2-yl)-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]prop-2-enamide (CID 126799870) is 3-(5-methylfuran-2-yl)-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]prop-2-enamide.
What is the SMILES notation for 3-(5-methylfuran-2-yl)-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]prop-2-enamide?
The canonical SMILES for 3-(5-methylfuran-2-yl)-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]prop-2-enamide is Cc1ccc(C=CC(=O)Nc2n[nH]nc2C(=O)N2CCCC2)o1.
What is the InChIKey of 3-(5-methylfuran-2-yl)-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]prop-2-enamide?
The InChIKey is LNMGBAPUBUQDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O3/c1-10-4-5-11(23-10)6-7-12(21)16-14-13(17-19-18-14)15(22)20-8-2-3-9-20/h4-7H,2-3,8-9H2,1H3,(H2,16,17,18,19,21).
What are the key properties of 3-(5-methylfuran-2-yl)-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]prop-2-enamide?
3-(5-methylfuran-2-yl)-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]prop-2-enamide has a molecular weight of 315.33 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylfuran-2-yl)-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]prop-2-enamide is sourced from PubChem (CID 126799870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).