N-[[4-[(4-methyl-2-pyridinyl)amino]-4-oxobutan-2-ylidene]amino]benzamide

C17H18N4O2 — CID 4233732

IUPACN-[[4-[(4-methyl-2-pyridinyl)amino]-4-oxobutan-2-ylidene]amino]benzamide
SMILESCC(CC(=O)Nc1cc(C)ccn1)=NNC(=O)c1ccccc1
InChIInChI=1S/C17H18N4O2/c1-12-8-9-18-15(10-12)19-16(22)11-13(2)20-21-17(23)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,21,23)(H,18,19,22)
InChIKeyJQSNYVPDRLRJLS-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.52
Rot. Bonds5

About N-[[4-[(4-methyl-2-pyridinyl)amino]-4-oxobutan-2-ylidene]amino]benzamide

N-[[4-[(4-methyl-2-pyridinyl)amino]-4-oxobutan-2-ylidene]amino]benzamide (PubChem CID 4233732) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is N-[[4-[(4-methyl-2-pyridinyl)amino]-4-oxobutan-2-ylidene]amino]benzamide.

Molecular Properties

Compound NameN-[[4-[(4-methyl-2-pyridinyl)amino]-4-oxobutan-2-ylidene]amino]benzamide
PubChem CID4233732
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC NameN-[[4-[(4-methyl-2-pyridinyl)amino]-4-oxobutan-2-ylidene]amino]benzamide
SMILESCC(CC(=O)Nc1cc(C)ccn1)=NNC(=O)c1ccccc1
InChIInChI=1S/C17H18N4O2/c1-12-8-9-18-15(10-12)19-16(22)11-13(2)20-21-17(23)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,21,23)(H,18,19,22)
InChIKeyJQSNYVPDRLRJLS-UHFFFAOYSA-N
XLogP2.52
TPSA83.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N-(4-methyl-2-pyridinyl)-3-oxo-3-phenylpropanamide
CID 101440867
4-iodo-N-[[4-oxo-4-(pyridin-2-ylamino)butan-2-ylidene]amino]benzamide
CID 3101281
4-benzamido-N-(4-methyl-2-pyridinyl)benzamide
CID 17153203
N-(4-methyl-2-pyridinyl)-2-phenylacetamide
CID 4232423
3,4-dimethoxy-N-[[4-oxo-4-(pyridin-2-ylamino)butan-2-ylidene]amino]benzamide
CID 3101285
N-[(2S)-1-[(4-methyl-2-pyridinyl)amino]-1-oxopropan-2-yl]benzamide
CID 41083862
3-amino-5-nitro-N-[(E)-[4-oxo-4-(pyridin-2-ylamino)butan-2-ylidene]amino]benzamide
CID 171979086
N-(3-methylphenyl)-N'-[[4-oxo-4-(pyridin-2-ylamino)butan-2-ylidene]amino]oxamide
CID 3101293
N-[(4-amino-4-oxobutan-2-ylidene)amino]benzamide
CID 3434794
N-[(Z)-[4-oxo-4-[2-(trifluoromethyl)anilino]butan-2-ylidene]amino]benzamide
CID 5369499
4-iodo-N-(4-methyl-2-pyridinyl)benzamide
CID 21204751
N-[(E)-1-chloropropan-2-ylideneamino]benzamide
CID 5380278

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-methyl-2-pyridinyl)amino]-4-oxobutan-2-ylidene]amino]benzamide?
The IUPAC name of N-[[4-[(4-methyl-2-pyridinyl)amino]-4-oxobutan-2-ylidene]amino]benzamide (CID 4233732) is N-[[4-[(4-methyl-2-pyridinyl)amino]-4-oxobutan-2-ylidene]amino]benzamide.
What is the SMILES notation for N-[[4-[(4-methyl-2-pyridinyl)amino]-4-oxobutan-2-ylidene]amino]benzamide?
The canonical SMILES for N-[[4-[(4-methyl-2-pyridinyl)amino]-4-oxobutan-2-ylidene]amino]benzamide is CC(CC(=O)Nc1cc(C)ccn1)=NNC(=O)c1ccccc1.
What is the InChIKey of N-[[4-[(4-methyl-2-pyridinyl)amino]-4-oxobutan-2-ylidene]amino]benzamide?
The InChIKey is JQSNYVPDRLRJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-12-8-9-18-15(10-12)19-16(22)11-13(2)20-21-17(23)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,21,23)(H,18,19,22).
What are the key properties of N-[[4-[(4-methyl-2-pyridinyl)amino]-4-oxobutan-2-ylidene]amino]benzamide?
N-[[4-[(4-methyl-2-pyridinyl)amino]-4-oxobutan-2-ylidene]amino]benzamide has a molecular weight of 310.36 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-methyl-2-pyridinyl)amino]-4-oxobutan-2-ylidene]amino]benzamide is sourced from PubChem (CID 4233732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).