N-[4-[(1-benzyl-2-pyridinylidene)amino]-4-oxobutan-2-yl]benzamide

C23H23N3O2 — CID 43039299

IUPACN-[4-[(1-benzyl-2-pyridinylidene)amino]-4-oxobutan-2-yl]benzamide
SMILESCC(CC(=O)/N=c1\ccccn1Cc1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C23H23N3O2/c1-18(24-23(28)20-12-6-3-7-13-20)16-22(27)25-21-14-8-9-15-26(21)17-19-10-4-2-5-11-19/h2-15,18H,16-17H2,1H3,(H,24,28)/b25-21+
InChIKeyFXVDNWDBKGYOFV-NJNXFGOHSA-N
MW373.46 g/mol
LogP3.17
Rot. Bonds6

About N-[4-[(1-benzyl-2-pyridinylidene)amino]-4-oxobutan-2-yl]benzamide

N-[4-[(1-benzyl-2-pyridinylidene)amino]-4-oxobutan-2-yl]benzamide (PubChem CID 43039299) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is N-[4-[(1-benzyl-2-pyridinylidene)amino]-4-oxobutan-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-[(1-benzyl-2-pyridinylidene)amino]-4-oxobutan-2-yl]benzamide
PubChem CID43039299
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC NameN-[4-[(1-benzyl-2-pyridinylidene)amino]-4-oxobutan-2-yl]benzamide
SMILESCC(CC(=O)/N=c1\ccccn1Cc1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C23H23N3O2/c1-18(24-23(28)20-12-6-3-7-13-20)16-22(27)25-21-14-8-9-15-26(21)17-19-10-4-2-5-11-19/h2-15,18H,16-17H2,1H3,(H,24,28)/b25-21+
InChIKeyFXVDNWDBKGYOFV-NJNXFGOHSA-N
XLogP3.17
TPSA63.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-amino-4-oxobutan-2-yl)benzamide
CID 47112685
N-(1-benzyl-2-pyridinylidene)-3,5-dimethylbenzamide
CID 60584634
(E)-2,3-bis[(2S)-2-benzamidopropyl]but-2-enedioic acid
CID 126482935
(E)-2,3-bis[(2R)-2-benzamidopropyl]but-2-enedioic acid
CID 126483406
N-(4-oxo-4-phenylbutan-2-yl)benzamide
CID 15430092
methyl (3S)-3-[(1-benzylpyrrole-2-carbonyl)amino]butanoate
CID 95933774
N-(1-benzyl-2-pyridinylidene)-4-phenoxybutanamide
CID 55376751
3-[[4-(pyrazol-1-ylmethyl)benzoyl]amino]butanoic acid
CID 119220723
N-(1-chloropropan-2-yl)benzamide
CID 3683093
methyl 3-benzamidobutanoate
CID 10857046
N-(4-aminobutan-2-yl)benzamide
CID 62087210
N-(1-(18F)fluoropropan-2-yl)(18F)benzamide
CID 177440113

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1-benzyl-2-pyridinylidene)amino]-4-oxobutan-2-yl]benzamide?
The IUPAC name of N-[4-[(1-benzyl-2-pyridinylidene)amino]-4-oxobutan-2-yl]benzamide (CID 43039299) is N-[4-[(1-benzyl-2-pyridinylidene)amino]-4-oxobutan-2-yl]benzamide.
What is the SMILES notation for N-[4-[(1-benzyl-2-pyridinylidene)amino]-4-oxobutan-2-yl]benzamide?
The canonical SMILES for N-[4-[(1-benzyl-2-pyridinylidene)amino]-4-oxobutan-2-yl]benzamide is CC(CC(=O)/N=c1\ccccn1Cc1ccccc1)NC(=O)c1ccccc1.
What is the InChIKey of N-[4-[(1-benzyl-2-pyridinylidene)amino]-4-oxobutan-2-yl]benzamide?
The InChIKey is FXVDNWDBKGYOFV-NJNXFGOHSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-18(24-23(28)20-12-6-3-7-13-20)16-22(27)25-21-14-8-9-15-26(21)17-19-10-4-2-5-11-19/h2-15,18H,16-17H2,1H3,(H,24,28)/b25-21+.
What are the key properties of N-[4-[(1-benzyl-2-pyridinylidene)amino]-4-oxobutan-2-yl]benzamide?
N-[4-[(1-benzyl-2-pyridinylidene)amino]-4-oxobutan-2-yl]benzamide has a molecular weight of 373.46 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1-benzyl-2-pyridinylidene)amino]-4-oxobutan-2-yl]benzamide is sourced from PubChem (CID 43039299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).