1-[2-[[(Z)-2-(methyliminomethyl)but-2-enyl]amino]-2-oxoethyl]-6-oxo-N-propan-2-ylpyridine-3-carboxamide

C17H24N4O3 — CID 143484389

IUPAC1-[2-[[(Z)-2-(methyliminomethyl)but-2-enyl]amino]-2-oxoethyl]-6-oxo-N-propan-2-ylpyridine-3-carboxamide
SMILESC/C=C(\C=N\C)CNC(=O)Cn1cc(C(=O)NC(C)C)ccc1=O
InChIInChI=1S/C17H24N4O3/c1-5-13(8-18-4)9-19-15(22)11-21-10-14(6-7-16(21)23)17(24)20-12(2)3/h5-8,10,12H,9,11H2,1-4H3,(H,19,22)(H,20,24)/b13-5+,18-8+
InChIKeyMRKPHASCEAHGLZ-KEYGUDLDSA-N
MW332.40 g/mol
LogP0.75
Rot. Bonds7

About 1-[2-[[(Z)-2-(methyliminomethyl)but-2-enyl]amino]-2-oxoethyl]-6-oxo-N-propan-2-ylpyridine-3-carboxamide

1-[2-[[(Z)-2-(methyliminomethyl)but-2-enyl]amino]-2-oxoethyl]-6-oxo-N-propan-2-ylpyridine-3-carboxamide (PubChem CID 143484389) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 1-[2-[[(Z)-2-(methyliminomethyl)but-2-enyl]amino]-2-oxoethyl]-6-oxo-N-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[[(Z)-2-(methyliminomethyl)but-2-enyl]amino]-2-oxoethyl]-6-oxo-N-propan-2-ylpyridine-3-carboxamide
PubChem CID143484389
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name1-[2-[[(Z)-2-(methyliminomethyl)but-2-enyl]amino]-2-oxoethyl]-6-oxo-N-propan-2-ylpyridine-3-carboxamide
SMILESC/C=C(\C=N\C)CNC(=O)Cn1cc(C(=O)NC(C)C)ccc1=O
InChIInChI=1S/C17H24N4O3/c1-5-13(8-18-4)9-19-15(22)11-21-10-14(6-7-16(21)23)17(24)20-12(2)3/h5-8,10,12H,9,11H2,1-4H3,(H,19,22)(H,20,24)/b13-5+,18-8+
InChIKeyMRKPHASCEAHGLZ-KEYGUDLDSA-N
XLogP0.75
TPSA92.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[(Z)-2-(methyliminomethyl)but-2-enyl]amino]-2-oxoethyl]-6-oxo-N-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of 1-[2-[[(Z)-2-(methyliminomethyl)but-2-enyl]amino]-2-oxoethyl]-6-oxo-N-propan-2-ylpyridine-3-carboxamide (CID 143484389) is 1-[2-[[(Z)-2-(methyliminomethyl)but-2-enyl]amino]-2-oxoethyl]-6-oxo-N-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 1-[2-[[(Z)-2-(methyliminomethyl)but-2-enyl]amino]-2-oxoethyl]-6-oxo-N-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 1-[2-[[(Z)-2-(methyliminomethyl)but-2-enyl]amino]-2-oxoethyl]-6-oxo-N-propan-2-ylpyridine-3-carboxamide is C/C=C(\C=N\C)CNC(=O)Cn1cc(C(=O)NC(C)C)ccc1=O.
What is the InChIKey of 1-[2-[[(Z)-2-(methyliminomethyl)but-2-enyl]amino]-2-oxoethyl]-6-oxo-N-propan-2-ylpyridine-3-carboxamide?
The InChIKey is MRKPHASCEAHGLZ-KEYGUDLDSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-5-13(8-18-4)9-19-15(22)11-21-10-14(6-7-16(21)23)17(24)20-12(2)3/h5-8,10,12H,9,11H2,1-4H3,(H,19,22)(H,20,24)/b13-5+,18-8+.
What are the key properties of 1-[2-[[(Z)-2-(methyliminomethyl)but-2-enyl]amino]-2-oxoethyl]-6-oxo-N-propan-2-ylpyridine-3-carboxamide?
1-[2-[[(Z)-2-(methyliminomethyl)but-2-enyl]amino]-2-oxoethyl]-6-oxo-N-propan-2-ylpyridine-3-carboxamide has a molecular weight of 332.40 g/mol, XLogP of 0.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[(Z)-2-(methyliminomethyl)but-2-enyl]amino]-2-oxoethyl]-6-oxo-N-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 143484389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).