5-[(2Z,4E)-2-ethenyl-5-methyl-6-(2-oxo-1-pyridinyl)hexa-2,4-dienyl]-N-(2-iminopropyl)pyridine-3-carboxamide

C23H26N4O2 — CID 144881375

IUPAC5-[(2Z,4E)-2-ethenyl-5-methyl-6-(2-oxo-1-pyridinyl)hexa-2,4-dienyl]-N-(2-iminopropyl)pyridine-3-carboxamide
SMILES[H]/N=C(\C)CNC(=O)c1cncc(C/C(C=C)=C/C=C(\C)Cn2ccccc2=O)c1
InChIInChI=1S/C23H26N4O2/c1-4-19(9-8-17(2)16-27-10-6-5-7-22(27)28)11-20-12-21(15-25-14-20)23(29)26-13-18(3)24/h4-10,12,14-15,24H,1,11,13,16H2,2-3H3,(H,26,29)/b17-8+,19-9+,24-18+
InChIKeyJWSCHDDJKKHCEI-ZXEJNDFUSA-N
MW390.49 g/mol
LogP3.31
Rot. Bonds9

About 5-[(2Z,4E)-2-ethenyl-5-methyl-6-(2-oxo-1-pyridinyl)hexa-2,4-dienyl]-N-(2-iminopropyl)pyridine-3-carboxamide

5-[(2Z,4E)-2-ethenyl-5-methyl-6-(2-oxo-1-pyridinyl)hexa-2,4-dienyl]-N-(2-iminopropyl)pyridine-3-carboxamide (PubChem CID 144881375) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 5-[(2Z,4E)-2-ethenyl-5-methyl-6-(2-oxo-1-pyridinyl)hexa-2,4-dienyl]-N-(2-iminopropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[(2Z,4E)-2-ethenyl-5-methyl-6-(2-oxo-1-pyridinyl)hexa-2,4-dienyl]-N-(2-iminopropyl)pyridine-3-carboxamide
PubChem CID144881375
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name5-[(2Z,4E)-2-ethenyl-5-methyl-6-(2-oxo-1-pyridinyl)hexa-2,4-dienyl]-N-(2-iminopropyl)pyridine-3-carboxamide
SMILES[H]/N=C(\C)CNC(=O)c1cncc(C/C(C=C)=C/C=C(\C)Cn2ccccc2=O)c1
InChIInChI=1S/C23H26N4O2/c1-4-19(9-8-17(2)16-27-10-6-5-7-22(27)28)11-20-12-21(15-25-14-20)23(29)26-13-18(3)24/h4-10,12,14-15,24H,1,11,13,16H2,2-3H3,(H,26,29)/b17-8+,19-9+,24-18+
InChIKeyJWSCHDDJKKHCEI-ZXEJNDFUSA-N
XLogP3.31
TPSA87.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

acetaldehyde;5-[(2Z,4E)-2-ethenyl-5-methyl-6-(2-oxo-1-pyridinyl)hexa-2,4-dienyl]-N-[2-[2-(ethylamino)-5-methylphenyl]-2-iminoethyl]pyridine-3-carboxamide
CID 144881308
N-(2-iminopropyl)-3-[4-[(2-oxo-1-pyridinyl)methyl]anilino]benzamide;methanamine
CID 144881007
5-[(2Z,4E)-6-acetamido-2-ethenyl-5-methylhexa-2,4-dienyl]-N-[[5-[(Z)-but-2-en-2-yl]-4-ethyl-2-fluorophenyl]methyl]pyridine-3-carboxamide
CID 144881417
N-[(E)-2-(4-chloro-2-methylphenyl)pent-2-enyl]-5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide
CID 144881429
N-[(6-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide
CID 118213060
methyl 2-[[(3Z)-4-amino-2-imino-3-methylhexa-3,5-dienoyl]amino]-2-[5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-pyridinyl]acetate
CID 144881428
5-bromo-N'-[2-(2-oxo-1-pyridinyl)acetyl]pyridine-3-carbohydrazide
CID 9077503
N-[(3-chloro-4-fluoro-1H-indol-5-yl)methyl]-5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide
CID 118212944
ethane;methane;5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide
CID 144881175
methyl 2-[5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-pyridinyl]acetate
CID 175301664
N-[(3-chloro-1H-indol-6-yl)methyl]-5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide
CID 118213156
tert-butyl N-[[4-[[1-[5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-pyridinyl]ethenylamino]methyl]phenyl]methyl]carbamate
CID 118220509

Frequently Asked Questions

What is the IUPAC name of 5-[(2Z,4E)-2-ethenyl-5-methyl-6-(2-oxo-1-pyridinyl)hexa-2,4-dienyl]-N-(2-iminopropyl)pyridine-3-carboxamide?
The IUPAC name of 5-[(2Z,4E)-2-ethenyl-5-methyl-6-(2-oxo-1-pyridinyl)hexa-2,4-dienyl]-N-(2-iminopropyl)pyridine-3-carboxamide (CID 144881375) is 5-[(2Z,4E)-2-ethenyl-5-methyl-6-(2-oxo-1-pyridinyl)hexa-2,4-dienyl]-N-(2-iminopropyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-[(2Z,4E)-2-ethenyl-5-methyl-6-(2-oxo-1-pyridinyl)hexa-2,4-dienyl]-N-(2-iminopropyl)pyridine-3-carboxamide?
The canonical SMILES for 5-[(2Z,4E)-2-ethenyl-5-methyl-6-(2-oxo-1-pyridinyl)hexa-2,4-dienyl]-N-(2-iminopropyl)pyridine-3-carboxamide is [H]/N=C(\C)CNC(=O)c1cncc(C/C(C=C)=C/C=C(\C)Cn2ccccc2=O)c1.
What is the InChIKey of 5-[(2Z,4E)-2-ethenyl-5-methyl-6-(2-oxo-1-pyridinyl)hexa-2,4-dienyl]-N-(2-iminopropyl)pyridine-3-carboxamide?
The InChIKey is JWSCHDDJKKHCEI-ZXEJNDFUSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-4-19(9-8-17(2)16-27-10-6-5-7-22(27)28)11-20-12-21(15-25-14-20)23(29)26-13-18(3)24/h4-10,12,14-15,24H,1,11,13,16H2,2-3H3,(H,26,29)/b17-8+,19-9+,24-18+.
What are the key properties of 5-[(2Z,4E)-2-ethenyl-5-methyl-6-(2-oxo-1-pyridinyl)hexa-2,4-dienyl]-N-(2-iminopropyl)pyridine-3-carboxamide?
5-[(2Z,4E)-2-ethenyl-5-methyl-6-(2-oxo-1-pyridinyl)hexa-2,4-dienyl]-N-(2-iminopropyl)pyridine-3-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 3.31, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2Z,4E)-2-ethenyl-5-methyl-6-(2-oxo-1-pyridinyl)hexa-2,4-dienyl]-N-(2-iminopropyl)pyridine-3-carboxamide is sourced from PubChem (CID 144881375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).