1-methyl-2-oxo-N-[(Z)-(4-pentoxyphenyl)methylideneamino]pyridine-3-carboxamide

C19H23N3O3 — CID 110523605

IUPAC1-methyl-2-oxo-N-[(Z)-(4-pentoxyphenyl)methylideneamino]pyridine-3-carboxamide
SMILESCCCCCOc1ccc(/C=N\NC(=O)c2cccn(C)c2=O)cc1
InChIInChI=1S/C19H23N3O3/c1-3-4-5-13-25-16-10-8-15(9-11-16)14-20-21-18(23)17-7-6-12-22(2)19(17)24/h6-12,14H,3-5,13H2,1-2H3,(H,21,23)/b20-14-
InChIKeyDJTWZGDSXIXRAZ-ZHZULCJRSA-N
MW341.41 g/mol
LogP2.72
Rot. Bonds8

About 1-methyl-2-oxo-N-[(Z)-(4-pentoxyphenyl)methylideneamino]pyridine-3-carboxamide

1-methyl-2-oxo-N-[(Z)-(4-pentoxyphenyl)methylideneamino]pyridine-3-carboxamide (PubChem CID 110523605) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-methyl-2-oxo-N-[(Z)-(4-pentoxyphenyl)methylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-2-oxo-N-[(Z)-(4-pentoxyphenyl)methylideneamino]pyridine-3-carboxamide
PubChem CID110523605
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name1-methyl-2-oxo-N-[(Z)-(4-pentoxyphenyl)methylideneamino]pyridine-3-carboxamide
SMILESCCCCCOc1ccc(/C=N\NC(=O)c2cccn(C)c2=O)cc1
InChIInChI=1S/C19H23N3O3/c1-3-4-5-13-25-16-10-8-15(9-11-16)14-20-21-18(23)17-7-6-12-22(2)19(17)24/h6-12,14H,3-5,13H2,1-2H3,(H,21,23)/b20-14-
InChIKeyDJTWZGDSXIXRAZ-ZHZULCJRSA-N
XLogP2.72
TPSA72.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(3-methoxy-4-pentoxyphenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide
CID 110523495
2-chloro-N-[(Z)-(4-pentoxyphenyl)methylideneamino]benzamide
CID 7782249
N-[(E)-(4-hexoxyphenyl)methylideneamino]-2-pyrrol-1-ylbenzamide
CID 6908234
1-methyl-2-oxo-N-[(Z)-(2-propoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 110523602
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-oxo-1-propan-2-ylpyridine-3-carboxamide
CID 110523641
N-[(Z)-(4-butoxy-3-methoxy-5-nitrophenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide
CID 110523513
N-[(Z)-(4-pentoxyphenyl)methylideneamino]acetamide
CID 9074224
N-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide
CID 110523547
[(E)-(4-pentoxyphenyl)methylideneamino]urea
CID 6909458
1-[(3-chlorophenyl)methyl]-2-oxo-N-[(Z)-(4-propoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 110524275
N-[(4-octoxyphenyl)methylideneamino]-1H-indole-3-carboxamide
CID 2329565
1-ethyl-N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110523250

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-N-[(Z)-(4-pentoxyphenyl)methylideneamino]pyridine-3-carboxamide?
The IUPAC name of 1-methyl-2-oxo-N-[(Z)-(4-pentoxyphenyl)methylideneamino]pyridine-3-carboxamide (CID 110523605) is 1-methyl-2-oxo-N-[(Z)-(4-pentoxyphenyl)methylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for 1-methyl-2-oxo-N-[(Z)-(4-pentoxyphenyl)methylideneamino]pyridine-3-carboxamide?
The canonical SMILES for 1-methyl-2-oxo-N-[(Z)-(4-pentoxyphenyl)methylideneamino]pyridine-3-carboxamide is CCCCCOc1ccc(/C=N\NC(=O)c2cccn(C)c2=O)cc1.
What is the InChIKey of 1-methyl-2-oxo-N-[(Z)-(4-pentoxyphenyl)methylideneamino]pyridine-3-carboxamide?
The InChIKey is DJTWZGDSXIXRAZ-ZHZULCJRSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-3-4-5-13-25-16-10-8-15(9-11-16)14-20-21-18(23)17-7-6-12-22(2)19(17)24/h6-12,14H,3-5,13H2,1-2H3,(H,21,23)/b20-14-.
What are the key properties of 1-methyl-2-oxo-N-[(Z)-(4-pentoxyphenyl)methylideneamino]pyridine-3-carboxamide?
1-methyl-2-oxo-N-[(Z)-(4-pentoxyphenyl)methylideneamino]pyridine-3-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 2.72, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-N-[(Z)-(4-pentoxyphenyl)methylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 110523605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).