2-[[amino-(4-butan-2-ylanilino)methylidene]amino]-N-pyridin-3-ylacetamide

C18H23N5O — CID 111092938

IUPAC2-[[amino-(4-butan-2-ylanilino)methylidene]amino]-N-pyridin-3-ylacetamide
SMILESCCC(C)c1ccc(N/C(N)=N/CC(=O)Nc2cccnc2)cc1
InChIInChI=1S/C18H23N5O/c1-3-13(2)14-6-8-15(9-7-14)23-18(19)21-12-17(24)22-16-5-4-10-20-11-16/h4-11,13H,3,12H2,1-2H3,(H,22,24)(H3,19,21,23)
InChIKeySQKQFSARNYAIIH-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.96
Rot. Bonds6

About 2-[[amino-(4-butan-2-ylanilino)methylidene]amino]-N-pyridin-3-ylacetamide

2-[[amino-(4-butan-2-ylanilino)methylidene]amino]-N-pyridin-3-ylacetamide (PubChem CID 111092938) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 2-[[amino-(4-butan-2-ylanilino)methylidene]amino]-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-[[amino-(4-butan-2-ylanilino)methylidene]amino]-N-pyridin-3-ylacetamide
PubChem CID111092938
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name2-[[amino-(4-butan-2-ylanilino)methylidene]amino]-N-pyridin-3-ylacetamide
SMILESCCC(C)c1ccc(N/C(N)=N/CC(=O)Nc2cccnc2)cc1
InChIInChI=1S/C18H23N5O/c1-3-13(2)14-6-8-15(9-7-14)23-18(19)21-12-17(24)22-16-5-4-10-20-11-16/h4-11,13H,3,12H2,1-2H3,(H,22,24)(H3,19,21,23)
InChIKeySQKQFSARNYAIIH-UHFFFAOYSA-N
XLogP2.96
TPSA92.40 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[[amino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide
CID 111093023
2-[[amino-(2,3-dihydro-1H-inden-5-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide
CID 111092990
1-(4-butan-2-ylphenyl)-2-ethylguanidine
CID 111023947
2-[[amino-(3-phenoxyanilino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide
CID 111599985
2-[[amino-(cyclopentylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide
CID 119121150
2-[[ethylamino-(propan-2-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide
CID 111127008
2-[[amino-(4-methylanilino)methylidene]amino]-N-phenylacetamide
CID 111073641
3-methyl-N-pyridin-3-ylpentanamide
CID 142960765
2-amino-N-(4-butan-2-ylphenyl)acetamide
CID 43218233
N-[4-[2-[[amino-(4-butan-2-ylanilino)methylidene]amino]ethyl]phenyl]acetamide
CID 111086193
1-(4-butan-2-ylphenyl)-2-(2-hydroxyethyl)guanidine;hydroiodide
CID 111023000
1-(4-butan-2-ylphenyl)-2-[[2-(dimethylamino)-3-pyridinyl]methyl]guanidine
CID 111055937

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-(4-butan-2-ylanilino)methylidene]amino]-N-pyridin-3-ylacetamide?
The IUPAC name of 2-[[amino-(4-butan-2-ylanilino)methylidene]amino]-N-pyridin-3-ylacetamide (CID 111092938) is 2-[[amino-(4-butan-2-ylanilino)methylidene]amino]-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-[[amino-(4-butan-2-ylanilino)methylidene]amino]-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-[[amino-(4-butan-2-ylanilino)methylidene]amino]-N-pyridin-3-ylacetamide is CCC(C)c1ccc(N/C(N)=N/CC(=O)Nc2cccnc2)cc1.
What is the InChIKey of 2-[[amino-(4-butan-2-ylanilino)methylidene]amino]-N-pyridin-3-ylacetamide?
The InChIKey is SQKQFSARNYAIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-3-13(2)14-6-8-15(9-7-14)23-18(19)21-12-17(24)22-16-5-4-10-20-11-16/h4-11,13H,3,12H2,1-2H3,(H,22,24)(H3,19,21,23).
What are the key properties of 2-[[amino-(4-butan-2-ylanilino)methylidene]amino]-N-pyridin-3-ylacetamide?
2-[[amino-(4-butan-2-ylanilino)methylidene]amino]-N-pyridin-3-ylacetamide has a molecular weight of 325.42 g/mol, XLogP of 2.96, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino-(4-butan-2-ylanilino)methylidene]amino]-N-pyridin-3-ylacetamide is sourced from PubChem (CID 111092938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).