1-acetyl-N-[(Z)-4-(2-ethyl-3-pyridinyl)but-3-enyl]pyrrolidine-2-carboxamide

C18H25N3O2 — CID 146358268

IUPAC1-acetyl-N-[(Z)-4-(2-ethyl-3-pyridinyl)but-3-enyl]pyrrolidine-2-carboxamide
SMILESCCc1ncccc1/C=C\CCNC(=O)C1CCCN1C(C)=O
InChIInChI=1S/C18H25N3O2/c1-3-16-15(9-6-12-19-16)8-4-5-11-20-18(23)17-10-7-13-21(17)14(2)22/h4,6,8-9,12,17H,3,5,7,10-11,13H2,1-2H3,(H,20,23)/b8-4-
InChIKeyKMUCLIYVYTVJJX-YWEYNIOJSA-N
MW315.42 g/mol
LogP2.17
Rot. Bonds6

About 1-acetyl-N-[(Z)-4-(2-ethyl-3-pyridinyl)but-3-enyl]pyrrolidine-2-carboxamide

1-acetyl-N-[(Z)-4-(2-ethyl-3-pyridinyl)but-3-enyl]pyrrolidine-2-carboxamide (PubChem CID 146358268) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-acetyl-N-[(Z)-4-(2-ethyl-3-pyridinyl)but-3-enyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[(Z)-4-(2-ethyl-3-pyridinyl)but-3-enyl]pyrrolidine-2-carboxamide
PubChem CID146358268
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name1-acetyl-N-[(Z)-4-(2-ethyl-3-pyridinyl)but-3-enyl]pyrrolidine-2-carboxamide
SMILESCCc1ncccc1/C=C\CCNC(=O)C1CCCN1C(C)=O
InChIInChI=1S/C18H25N3O2/c1-3-16-15(9-6-12-19-16)8-4-5-11-20-18(23)17-10-7-13-21(17)14(2)22/h4,6,8-9,12,17H,3,5,7,10-11,13H2,1-2H3,(H,20,23)/b8-4-
InChIKeyKMUCLIYVYTVJJX-YWEYNIOJSA-N
XLogP2.17
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-acetyl-N-[(Z)-4-(2-ethyl-3-pyridinyl)but-3-enyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-acetyl-N-[(Z)-4-(2-ethyl-3-pyridinyl)but-3-enyl]pyrrolidine-2-carboxamide (CID 146358268) is 1-acetyl-N-[(Z)-4-(2-ethyl-3-pyridinyl)but-3-enyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-acetyl-N-[(Z)-4-(2-ethyl-3-pyridinyl)but-3-enyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-acetyl-N-[(Z)-4-(2-ethyl-3-pyridinyl)but-3-enyl]pyrrolidine-2-carboxamide is CCc1ncccc1/C=C\CCNC(=O)C1CCCN1C(C)=O.
What is the InChIKey of 1-acetyl-N-[(Z)-4-(2-ethyl-3-pyridinyl)but-3-enyl]pyrrolidine-2-carboxamide?
The InChIKey is KMUCLIYVYTVJJX-YWEYNIOJSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-3-16-15(9-6-12-19-16)8-4-5-11-20-18(23)17-10-7-13-21(17)14(2)22/h4,6,8-9,12,17H,3,5,7,10-11,13H2,1-2H3,(H,20,23)/b8-4-.
What are the key properties of 1-acetyl-N-[(Z)-4-(2-ethyl-3-pyridinyl)but-3-enyl]pyrrolidine-2-carboxamide?
1-acetyl-N-[(Z)-4-(2-ethyl-3-pyridinyl)but-3-enyl]pyrrolidine-2-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[(Z)-4-(2-ethyl-3-pyridinyl)but-3-enyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 146358268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).