2-oxo-1-propan-2-yl-N-[(Z)-(2-propoxyphenyl)methylideneamino]pyridine-3-carboxamide

C19H23N3O3 — CID 110523793

IUPAC2-oxo-1-propan-2-yl-N-[(Z)-(2-propoxyphenyl)methylideneamino]pyridine-3-carboxamide
SMILESCCCOc1ccccc1/C=N\NC(=O)c1cccn(C(C)C)c1=O
InChIInChI=1S/C19H23N3O3/c1-4-12-25-17-10-6-5-8-15(17)13-20-21-18(23)16-9-7-11-22(14(2)3)19(16)24/h5-11,13-14H,4,12H2,1-3H3,(H,21,23)/b20-13-
InChIKeyKNLZXIPLPAYVKG-MOSHPQCFSA-N
MW341.41 g/mol
LogP2.98
Rot. Bonds7

About 2-oxo-1-propan-2-yl-N-[(Z)-(2-propoxyphenyl)methylideneamino]pyridine-3-carboxamide

2-oxo-1-propan-2-yl-N-[(Z)-(2-propoxyphenyl)methylideneamino]pyridine-3-carboxamide (PubChem CID 110523793) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-oxo-1-propan-2-yl-N-[(Z)-(2-propoxyphenyl)methylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-1-propan-2-yl-N-[(Z)-(2-propoxyphenyl)methylideneamino]pyridine-3-carboxamide
PubChem CID110523793
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name2-oxo-1-propan-2-yl-N-[(Z)-(2-propoxyphenyl)methylideneamino]pyridine-3-carboxamide
SMILESCCCOc1ccccc1/C=N\NC(=O)c1cccn(C(C)C)c1=O
InChIInChI=1S/C19H23N3O3/c1-4-12-25-17-10-6-5-8-15(17)13-20-21-18(23)16-9-7-11-22(14(2)3)19(16)24/h5-11,13-14H,4,12H2,1-3H3,(H,21,23)/b20-13-
InChIKeyKNLZXIPLPAYVKG-MOSHPQCFSA-N
XLogP2.98
TPSA72.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-2-oxo-N-[(Z)-(2-propoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 110523602
N-[(Z)-(3-chloro-4-propoxyphenyl)methylideneamino]-2-oxo-1-propan-2-ylpyridine-3-carboxamide
CID 110523735
1-[(4-methylphenyl)methyl]-2-oxo-N-[(Z)-(2-propoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 110524066
1-[(2-chlorophenyl)methyl]-2-oxo-N-[(Z)-(2-propoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 110524427
N-[(2-ethoxyphenyl)methylideneamino]-2-propoxybenzamide
CID 4931430
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-oxo-1-propan-2-ylpyridine-3-carboxamide
CID 110523641
N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]-2-propoxybenzamide
CID 54788819
N-[(Z)-(2-bromo-3,4-dimethoxyphenyl)methylideneamino]-2-oxo-1-propan-2-ylpyridine-3-carboxamide
CID 110523765
N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-2-oxo-1-propan-2-ylpyridine-3-carboxamide
CID 110523827
N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-oxo-1-propan-2-ylpyridine-3-carboxamide
CID 110523654
1,3-bis[(E)-(2-propoxyphenyl)methylideneamino]urea
CID 5332460
N-[(Z)-(2-bromo-3-hydroxy-4-methoxyphenyl)methylideneamino]-2-oxo-1-propan-2-ylpyridine-3-carboxamide
CID 110523669

Frequently Asked Questions

What is the IUPAC name of 2-oxo-1-propan-2-yl-N-[(Z)-(2-propoxyphenyl)methylideneamino]pyridine-3-carboxamide?
The IUPAC name of 2-oxo-1-propan-2-yl-N-[(Z)-(2-propoxyphenyl)methylideneamino]pyridine-3-carboxamide (CID 110523793) is 2-oxo-1-propan-2-yl-N-[(Z)-(2-propoxyphenyl)methylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for 2-oxo-1-propan-2-yl-N-[(Z)-(2-propoxyphenyl)methylideneamino]pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-1-propan-2-yl-N-[(Z)-(2-propoxyphenyl)methylideneamino]pyridine-3-carboxamide is CCCOc1ccccc1/C=N\NC(=O)c1cccn(C(C)C)c1=O.
What is the InChIKey of 2-oxo-1-propan-2-yl-N-[(Z)-(2-propoxyphenyl)methylideneamino]pyridine-3-carboxamide?
The InChIKey is KNLZXIPLPAYVKG-MOSHPQCFSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-4-12-25-17-10-6-5-8-15(17)13-20-21-18(23)16-9-7-11-22(14(2)3)19(16)24/h5-11,13-14H,4,12H2,1-3H3,(H,21,23)/b20-13-.
What are the key properties of 2-oxo-1-propan-2-yl-N-[(Z)-(2-propoxyphenyl)methylideneamino]pyridine-3-carboxamide?
2-oxo-1-propan-2-yl-N-[(Z)-(2-propoxyphenyl)methylideneamino]pyridine-3-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1-propan-2-yl-N-[(Z)-(2-propoxyphenyl)methylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 110523793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).