5-ethyl-4-(pyrrolidin-1-ylmethyl)-N-[3-(triazol-1-yl)propyl]furan-2-carboxamide

C17H25N5O2 — CID 119074223

IUPAC5-ethyl-4-(pyrrolidin-1-ylmethyl)-N-[3-(triazol-1-yl)propyl]furan-2-carboxamide
SMILESCCc1oc(C(=O)NCCCn2ccnn2)cc1CN1CCCC1
InChIInChI=1S/C17H25N5O2/c1-2-15-14(13-21-8-3-4-9-21)12-16(24-15)17(23)18-6-5-10-22-11-7-19-20-22/h7,11-12H,2-6,8-10,13H2,1H3,(H,18,23)
InChIKeyDRTYDPJCZXPUTC-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.85
Rot. Bonds8

About 5-ethyl-4-(pyrrolidin-1-ylmethyl)-N-[3-(triazol-1-yl)propyl]furan-2-carboxamide

5-ethyl-4-(pyrrolidin-1-ylmethyl)-N-[3-(triazol-1-yl)propyl]furan-2-carboxamide (PubChem CID 119074223) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 5-ethyl-4-(pyrrolidin-1-ylmethyl)-N-[3-(triazol-1-yl)propyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-4-(pyrrolidin-1-ylmethyl)-N-[3-(triazol-1-yl)propyl]furan-2-carboxamide
PubChem CID119074223
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name5-ethyl-4-(pyrrolidin-1-ylmethyl)-N-[3-(triazol-1-yl)propyl]furan-2-carboxamide
SMILESCCc1oc(C(=O)NCCCn2ccnn2)cc1CN1CCCC1
InChIInChI=1S/C17H25N5O2/c1-2-15-14(13-21-8-3-4-9-21)12-16(24-15)17(23)18-6-5-10-22-11-7-19-20-22/h7,11-12H,2-6,8-10,13H2,1H3,(H,18,23)
InChIKeyDRTYDPJCZXPUTC-UHFFFAOYSA-N
XLogP1.85
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-4-(piperidin-1-ylmethyl)furan-2-carboxylic acid
CID 1093415
5-ethyl-N-(oxolan-2-ylmethyl)-4-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 46983992
5-ethyl-N-[(1-phenyltetrazol-5-yl)methyl]-4-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 119059323
5-ethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-4-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 46997339
5-ethyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-4-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 131898045
3-sulfanyl-N-[3-(triazol-1-yl)propyl]benzamide
CID 107034799
5-ethyl-4-(pyrrolidin-1-ylmethyl)-N-[(6S)-4,5,6,7-tetrahydro-1H-indazol-6-yl]furan-2-carboxamide
CID 126445682
2-ethyl-N-[4-(triazol-1-yl)butyl]butanamide
CID 75453912
4-methyl-6-(oxan-4-yl)-2-oxo-N-[3-(triazol-1-yl)propyl]pyran-3-carboxamide
CID 170513085
4-(ethylsulfonylamino)-N-[3-(triazol-1-yl)propyl]benzamide
CID 135103024
2-[2-oxo-2-[3-(triazol-1-yl)propylamino]ethyl]benzoic acid
CID 104601773
2-methyl-N-[3-(triazol-1-yl)propyl]-5-(trifluoromethyl)benzamide
CID 91775896

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-(pyrrolidin-1-ylmethyl)-N-[3-(triazol-1-yl)propyl]furan-2-carboxamide?
The IUPAC name of 5-ethyl-4-(pyrrolidin-1-ylmethyl)-N-[3-(triazol-1-yl)propyl]furan-2-carboxamide (CID 119074223) is 5-ethyl-4-(pyrrolidin-1-ylmethyl)-N-[3-(triazol-1-yl)propyl]furan-2-carboxamide.
What is the SMILES notation for 5-ethyl-4-(pyrrolidin-1-ylmethyl)-N-[3-(triazol-1-yl)propyl]furan-2-carboxamide?
The canonical SMILES for 5-ethyl-4-(pyrrolidin-1-ylmethyl)-N-[3-(triazol-1-yl)propyl]furan-2-carboxamide is CCc1oc(C(=O)NCCCn2ccnn2)cc1CN1CCCC1.
What is the InChIKey of 5-ethyl-4-(pyrrolidin-1-ylmethyl)-N-[3-(triazol-1-yl)propyl]furan-2-carboxamide?
The InChIKey is DRTYDPJCZXPUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-2-15-14(13-21-8-3-4-9-21)12-16(24-15)17(23)18-6-5-10-22-11-7-19-20-22/h7,11-12H,2-6,8-10,13H2,1H3,(H,18,23).
What are the key properties of 5-ethyl-4-(pyrrolidin-1-ylmethyl)-N-[3-(triazol-1-yl)propyl]furan-2-carboxamide?
5-ethyl-4-(pyrrolidin-1-ylmethyl)-N-[3-(triazol-1-yl)propyl]furan-2-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 1.85, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-(pyrrolidin-1-ylmethyl)-N-[3-(triazol-1-yl)propyl]furan-2-carboxamide is sourced from PubChem (CID 119074223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).