N-[5-[(3-cyanocyclobutylidene)methyl]-2-pyridinyl]-2-(3-methylphenyl)acetamide

C20H19N3O — CID 122607397

IUPACN-[5-[(3-cyanocyclobutylidene)methyl]-2-pyridinyl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)Nc2ccc(C=C3CC(C#N)C3)cn2)c1
InChIInChI=1S/C20H19N3O/c1-14-3-2-4-15(7-14)11-20(24)23-19-6-5-16(13-22-19)8-17-9-18(10-17)12-21/h2-8,13,18H,9-11H2,1H3,(H,22,23,24)/b17-8-
InChIKeyLYIPYUDPLMNRAX-IUXPMGMMSA-N
MW317.39 g/mol
LogP3.89
Rot. Bonds4

About N-[5-[(3-cyanocyclobutylidene)methyl]-2-pyridinyl]-2-(3-methylphenyl)acetamide

N-[5-[(3-cyanocyclobutylidene)methyl]-2-pyridinyl]-2-(3-methylphenyl)acetamide (PubChem CID 122607397) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[5-[(3-cyanocyclobutylidene)methyl]-2-pyridinyl]-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[5-[(3-cyanocyclobutylidene)methyl]-2-pyridinyl]-2-(3-methylphenyl)acetamide
PubChem CID122607397
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC NameN-[5-[(3-cyanocyclobutylidene)methyl]-2-pyridinyl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)Nc2ccc(C=C3CC(C#N)C3)cn2)c1
InChIInChI=1S/C20H19N3O/c1-14-3-2-4-15(7-14)11-20(24)23-19-6-5-16(13-22-19)8-17-9-18(10-17)12-21/h2-8,13,18H,9-11H2,1H3,(H,22,23,24)/b17-8-
InChIKeyLYIPYUDPLMNRAX-IUXPMGMMSA-N
XLogP3.89
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylphenyl)-N-[5-(propylamino)-2-pyridinyl]acetamide
CID 113023476
N-[6-(2-cyanoanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113022692
2-(3-aminophenyl)-N-(5-methyl-2-pyridinyl)acetamide
CID 62500128
N-[6-[4-(cyanomethyl)piperidin-1-yl]pyridazin-3-yl]-2-(3-methylphenyl)acetamide
CID 122660232
2-(2-methylphenyl)-N-[5-[(3-methylphenyl)methylamino]-2-pyridinyl]acetamide
CID 113026630
N-[6-(4-ethylanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113017495
2-(3-methylphenyl)-N-[5-(2-morpholin-4-ylethylamino)-2-pyridinyl]acetamide
CID 113025662
N-[6-[(1,1-dioxothiolan-3-yl)amino]-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113013628
N-[6-(4-tert-butylanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113018155
2-(3-fluorophenyl)-N-[5-(3-methylanilino)-2-pyridinyl]acetamide
CID 113031460
N-[6-(3,4-dichloroanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113022187
N-[5-[(3-cyanocyclobutyl)methyl]-2-pyridinyl]-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 118211050

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-cyanocyclobutylidene)methyl]-2-pyridinyl]-2-(3-methylphenyl)acetamide?
The IUPAC name of N-[5-[(3-cyanocyclobutylidene)methyl]-2-pyridinyl]-2-(3-methylphenyl)acetamide (CID 122607397) is N-[5-[(3-cyanocyclobutylidene)methyl]-2-pyridinyl]-2-(3-methylphenyl)acetamide.
What is the SMILES notation for N-[5-[(3-cyanocyclobutylidene)methyl]-2-pyridinyl]-2-(3-methylphenyl)acetamide?
The canonical SMILES for N-[5-[(3-cyanocyclobutylidene)methyl]-2-pyridinyl]-2-(3-methylphenyl)acetamide is Cc1cccc(CC(=O)Nc2ccc(C=C3CC(C#N)C3)cn2)c1.
What is the InChIKey of N-[5-[(3-cyanocyclobutylidene)methyl]-2-pyridinyl]-2-(3-methylphenyl)acetamide?
The InChIKey is LYIPYUDPLMNRAX-IUXPMGMMSA-N. The full InChI is InChI=1S/C20H19N3O/c1-14-3-2-4-15(7-14)11-20(24)23-19-6-5-16(13-22-19)8-17-9-18(10-17)12-21/h2-8,13,18H,9-11H2,1H3,(H,22,23,24)/b17-8-.
What are the key properties of N-[5-[(3-cyanocyclobutylidene)methyl]-2-pyridinyl]-2-(3-methylphenyl)acetamide?
N-[5-[(3-cyanocyclobutylidene)methyl]-2-pyridinyl]-2-(3-methylphenyl)acetamide has a molecular weight of 317.39 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-cyanocyclobutylidene)methyl]-2-pyridinyl]-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 122607397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).