5-(but-3-en-2-ylideneamino)-N-[2-(but-3-en-2-ylideneamino)pyrimidin-5-yl]-2-methylbenzamide

C20H21N5O — CID 123695650

IUPAC5-(but-3-en-2-ylideneamino)-N-[2-(but-3-en-2-ylideneamino)pyrimidin-5-yl]-2-methylbenzamide
SMILESC=CC(C)=Nc1ncc(NC(=O)c2cc(/N=C(\C)C=C)ccc2C)cn1
InChIInChI=1S/C20H21N5O/c1-6-14(4)23-16-9-8-13(3)18(10-16)19(26)25-17-11-21-20(22-12-17)24-15(5)7-2/h6-12H,1-2H2,3-5H3,(H,25,26)/b23-14+,24-15?
InChIKeyAKXOPSDNXYYECL-YFKHUJLFSA-N
MW347.42 g/mol
LogP4.59
Rot. Bonds6

About 5-(but-3-en-2-ylideneamino)-N-[2-(but-3-en-2-ylideneamino)pyrimidin-5-yl]-2-methylbenzamide

5-(but-3-en-2-ylideneamino)-N-[2-(but-3-en-2-ylideneamino)pyrimidin-5-yl]-2-methylbenzamide (PubChem CID 123695650) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is 5-(but-3-en-2-ylideneamino)-N-[2-(but-3-en-2-ylideneamino)pyrimidin-5-yl]-2-methylbenzamide.

Molecular Properties

Compound Name5-(but-3-en-2-ylideneamino)-N-[2-(but-3-en-2-ylideneamino)pyrimidin-5-yl]-2-methylbenzamide
PubChem CID123695650
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name5-(but-3-en-2-ylideneamino)-N-[2-(but-3-en-2-ylideneamino)pyrimidin-5-yl]-2-methylbenzamide
SMILESC=CC(C)=Nc1ncc(NC(=O)c2cc(/N=C(\C)C=C)ccc2C)cn1
InChIInChI=1S/C20H21N5O/c1-6-14(4)23-16-9-8-13(3)18(10-16)19(26)25-17-11-21-20(22-12-17)24-15(5)7-2/h6-12H,1-2H2,3-5H3,(H,25,26)/b23-14+,24-15?
InChIKeyAKXOPSDNXYYECL-YFKHUJLFSA-N
XLogP4.59
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-(6-methyl-3-pyridinyl)-5-nitrosobenzamide
CID 138652624
5-chloro-N-(6-chloro-5-methyl-3-pyridinyl)-2-methylbenzamide
CID 103842318
2,5-dimethyl-N-(2-phenoxypyrimidin-5-yl)benzamide
CID 122302232
2-methyl-N-[2-[3-(prop-2-enoylamino)anilino]pyrimidin-5-yl]benzamide
CID 71556767
2,5-dimethyl-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide
CID 53164782
5-(cyclopropylmethylamino)-2-methyl-N-(2-methylpyrimidin-5-yl)benzamide
CID 144732154
2,5-dimethyl-N-(3-methylphenyl)benzamide
CID 925357
N-(2-acetyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-methyl-5-nitrobenzamide;ethane
CID 144657224
N-(4-bromo-3,5-dimethylphenyl)-2,5-dimethylbenzamide
CID 107574857
5-[(2,5-dimethylbenzoyl)amino]-2-methylbenzoic acid
CID 63653663
N-(7-methoxyquinolin-3-yl)-2,5-dimethylbenzamide
CID 95745195
5-amino-N-[6-(diethylamino)-3-pyridinyl]-2-methylbenzamide;dihydrochloride
CID 120641638

Frequently Asked Questions

What is the IUPAC name of 5-(but-3-en-2-ylideneamino)-N-[2-(but-3-en-2-ylideneamino)pyrimidin-5-yl]-2-methylbenzamide?
The IUPAC name of 5-(but-3-en-2-ylideneamino)-N-[2-(but-3-en-2-ylideneamino)pyrimidin-5-yl]-2-methylbenzamide (CID 123695650) is 5-(but-3-en-2-ylideneamino)-N-[2-(but-3-en-2-ylideneamino)pyrimidin-5-yl]-2-methylbenzamide.
What is the SMILES notation for 5-(but-3-en-2-ylideneamino)-N-[2-(but-3-en-2-ylideneamino)pyrimidin-5-yl]-2-methylbenzamide?
The canonical SMILES for 5-(but-3-en-2-ylideneamino)-N-[2-(but-3-en-2-ylideneamino)pyrimidin-5-yl]-2-methylbenzamide is C=CC(C)=Nc1ncc(NC(=O)c2cc(/N=C(\C)C=C)ccc2C)cn1.
What is the InChIKey of 5-(but-3-en-2-ylideneamino)-N-[2-(but-3-en-2-ylideneamino)pyrimidin-5-yl]-2-methylbenzamide?
The InChIKey is AKXOPSDNXYYECL-YFKHUJLFSA-N. The full InChI is InChI=1S/C20H21N5O/c1-6-14(4)23-16-9-8-13(3)18(10-16)19(26)25-17-11-21-20(22-12-17)24-15(5)7-2/h6-12H,1-2H2,3-5H3,(H,25,26)/b23-14+,24-15?.
What are the key properties of 5-(but-3-en-2-ylideneamino)-N-[2-(but-3-en-2-ylideneamino)pyrimidin-5-yl]-2-methylbenzamide?
5-(but-3-en-2-ylideneamino)-N-[2-(but-3-en-2-ylideneamino)pyrimidin-5-yl]-2-methylbenzamide has a molecular weight of 347.42 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(but-3-en-2-ylideneamino)-N-[2-(but-3-en-2-ylideneamino)pyrimidin-5-yl]-2-methylbenzamide is sourced from PubChem (CID 123695650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).