N-butyl-1-[5-(4-methyltriazol-1-yl)pentanoyl]pyrrolidine-2-carboxamide

C17H29N5O2 — CID 59498656

IUPACN-butyl-1-[5-(4-methyltriazol-1-yl)pentanoyl]pyrrolidine-2-carboxamide
SMILESCCCCNC(=O)C1CCCN1C(=O)CCCCn1cc(C)nn1
InChIInChI=1S/C17H29N5O2/c1-3-4-10-18-17(24)15-8-7-12-22(15)16(23)9-5-6-11-21-13-14(2)19-20-21/h13,15H,3-12H2,1-2H3,(H,18,24)
InChIKeyQNSCITFTTZEQOB-UHFFFAOYSA-N
MW335.45 g/mol
LogP1.66
Rot. Bonds9

About N-butyl-1-[5-(4-methyltriazol-1-yl)pentanoyl]pyrrolidine-2-carboxamide

N-butyl-1-[5-(4-methyltriazol-1-yl)pentanoyl]pyrrolidine-2-carboxamide (PubChem CID 59498656) has the molecular formula C17H29N5O2 and a molecular weight of 335.45 g/mol. Its IUPAC name is N-butyl-1-[5-(4-methyltriazol-1-yl)pentanoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-butyl-1-[5-(4-methyltriazol-1-yl)pentanoyl]pyrrolidine-2-carboxamide
PubChem CID59498656
Molecular FormulaC17H29N5O2
Molecular Weight335.45 g/mol
Exact Mass335.23
IUPAC NameN-butyl-1-[5-(4-methyltriazol-1-yl)pentanoyl]pyrrolidine-2-carboxamide
SMILESCCCCNC(=O)C1CCCN1C(=O)CCCCn1cc(C)nn1
InChIInChI=1S/C17H29N5O2/c1-3-4-10-18-17(24)15-8-7-12-22(15)16(23)9-5-6-11-21-13-14(2)19-20-21/h13,15H,3-12H2,1-2H3,(H,18,24)
InChIKeyQNSCITFTTZEQOB-UHFFFAOYSA-N
XLogP1.66
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-1-[5-(4-methyltriazol-1-yl)pentanoyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-butyl-1-[5-(4-methyltriazol-1-yl)pentanoyl]pyrrolidine-2-carboxamide (CID 59498656) is N-butyl-1-[5-(4-methyltriazol-1-yl)pentanoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-butyl-1-[5-(4-methyltriazol-1-yl)pentanoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-butyl-1-[5-(4-methyltriazol-1-yl)pentanoyl]pyrrolidine-2-carboxamide is CCCCNC(=O)C1CCCN1C(=O)CCCCn1cc(C)nn1.
What is the InChIKey of N-butyl-1-[5-(4-methyltriazol-1-yl)pentanoyl]pyrrolidine-2-carboxamide?
The InChIKey is QNSCITFTTZEQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O2/c1-3-4-10-18-17(24)15-8-7-12-22(15)16(23)9-5-6-11-21-13-14(2)19-20-21/h13,15H,3-12H2,1-2H3,(H,18,24).
What are the key properties of N-butyl-1-[5-(4-methyltriazol-1-yl)pentanoyl]pyrrolidine-2-carboxamide?
N-butyl-1-[5-(4-methyltriazol-1-yl)pentanoyl]pyrrolidine-2-carboxamide has a molecular weight of 335.45 g/mol, XLogP of 1.66, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-[5-(4-methyltriazol-1-yl)pentanoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 59498656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).