4-(1-cyanocyclopropyl)-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]benzamide

C19H19N3O3 — CID 75446347

IUPAC4-(1-cyanocyclopropyl)-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]benzamide
SMILESCOCCn1cc(NC(=O)c2ccc(C3(C#N)CC3)cc2)ccc1=O
InChIInChI=1S/C19H19N3O3/c1-25-11-10-22-12-16(6-7-17(22)23)21-18(24)14-2-4-15(5-3-14)19(13-20)8-9-19/h2-7,12H,8-11H2,1H3,(H,21,24)
InChIKeyVAHCGGZFKIZHQR-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.30
Rot. Bonds6

About 4-(1-cyanocyclopropyl)-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]benzamide

4-(1-cyanocyclopropyl)-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]benzamide (PubChem CID 75446347) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 4-(1-cyanocyclopropyl)-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]benzamide.

Molecular Properties

Compound Name4-(1-cyanocyclopropyl)-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]benzamide
PubChem CID75446347
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name4-(1-cyanocyclopropyl)-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]benzamide
SMILESCOCCn1cc(NC(=O)c2ccc(C3(C#N)CC3)cc2)ccc1=O
InChIInChI=1S/C19H19N3O3/c1-25-11-10-22-12-16(6-7-17(22)23)21-18(24)14-2-4-15(5-3-14)19(13-20)8-9-19/h2-7,12H,8-11H2,1H3,(H,21,24)
InChIKeyVAHCGGZFKIZHQR-UHFFFAOYSA-N
XLogP2.30
TPSA84.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxyethylamino)-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]acetamide
CID 79281498
2-bromo-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]propanamide
CID 107903976
3-chloro-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-2,2-dimethylpropanamide
CID 63680566
N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-3-methylbut-2-enamide
CID 113222064
2-fluoro-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]pyridine-4-carboxamide
CID 61294942
N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]cyclohexene-1-carboxamide
CID 99613534
N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-4-methylthiophene-3-carboxamide
CID 71968599
2-fluoro-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]benzamide
CID 38675455
N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-2-methyl-3-(methylamino)propanamide
CID 79196697
2-amino-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]butanamide
CID 43713286
4-chloro-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]butanamide
CID 63307515
5-hydroxy-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]pentanamide
CID 79199757

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyanocyclopropyl)-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]benzamide?
The IUPAC name of 4-(1-cyanocyclopropyl)-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]benzamide (CID 75446347) is 4-(1-cyanocyclopropyl)-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]benzamide.
What is the SMILES notation for 4-(1-cyanocyclopropyl)-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]benzamide?
The canonical SMILES for 4-(1-cyanocyclopropyl)-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]benzamide is COCCn1cc(NC(=O)c2ccc(C3(C#N)CC3)cc2)ccc1=O.
What is the InChIKey of 4-(1-cyanocyclopropyl)-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]benzamide?
The InChIKey is VAHCGGZFKIZHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-25-11-10-22-12-16(6-7-17(22)23)21-18(24)14-2-4-15(5-3-14)19(13-20)8-9-19/h2-7,12H,8-11H2,1H3,(H,21,24).
What are the key properties of 4-(1-cyanocyclopropyl)-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]benzamide?
4-(1-cyanocyclopropyl)-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]benzamide has a molecular weight of 337.38 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyanocyclopropyl)-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]benzamide is sourced from PubChem (CID 75446347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).