benzyl N-[4-(1-benzyl-4-oxo-2,3-dihydropyridin-5-yl)phenyl]carbamate

C26H24N2O3 — CID 24851540

IUPACbenzyl N-[4-(1-benzyl-4-oxo-2,3-dihydropyridin-5-yl)phenyl]carbamate
SMILESO=C(Nc1ccc(C2=CN(Cc3ccccc3)CCC2=O)cc1)OCc1ccccc1
InChIInChI=1S/C26H24N2O3/c29-25-15-16-28(17-20-7-3-1-4-8-20)18-24(25)22-11-13-23(14-12-22)27-26(30)31-19-21-9-5-2-6-10-21/h1-14,18H,15-17,19H2,(H,27,30)
InChIKeyCOFIYARQVLLCFB-UHFFFAOYSA-N
MW412.49 g/mol
LogP5.25
Rot. Bonds6

About benzyl N-[4-(1-benzyl-4-oxo-2,3-dihydropyridin-5-yl)phenyl]carbamate

benzyl N-[4-(1-benzyl-4-oxo-2,3-dihydropyridin-5-yl)phenyl]carbamate (PubChem CID 24851540) has the molecular formula C26H24N2O3 and a molecular weight of 412.49 g/mol. Its IUPAC name is benzyl N-[4-(1-benzyl-4-oxo-2,3-dihydropyridin-5-yl)phenyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[4-(1-benzyl-4-oxo-2,3-dihydropyridin-5-yl)phenyl]carbamate
PubChem CID24851540
Molecular FormulaC26H24N2O3
Molecular Weight412.49 g/mol
Exact Mass412.18
IUPAC Namebenzyl N-[4-(1-benzyl-4-oxo-2,3-dihydropyridin-5-yl)phenyl]carbamate
SMILESO=C(Nc1ccc(C2=CN(Cc3ccccc3)CCC2=O)cc1)OCc1ccccc1
InChIInChI=1S/C26H24N2O3/c29-25-15-16-28(17-20-7-3-1-4-8-20)18-24(25)22-11-13-23(14-12-22)27-26(30)31-19-21-9-5-2-6-10-21/h1-14,18H,15-17,19H2,(H,27,30)
InChIKeyCOFIYARQVLLCFB-UHFFFAOYSA-N
XLogP5.25
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.49
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[3-[[4-[(1S,2R)-2-aminocyclopropyl]phenyl]carbamoyl]phenyl]carbamate;hydrochloride
CID 127032253
benzyl N-[4-[[4-(2-aminocyclopropyl)phenyl]carbamoyl]phenyl]carbamate
CID 164616646
[4-(4-Acryloylamino-piperidin-1-ylmethyl)-phenyl]carbamic acid benzyl ester
CID 71458420
(7,8-Dioxo-5-phenyl-7,8-dihydro-naphthalen-2-yl)-carbamic acid benzyl ester
CID 44300941
benzyl N-[4-[4-(prop-2-enoylamino)piperidine-1-carbonyl]phenyl]carbamate
CID 71453047
benzyl N-[(1S)-1-[[(1S)-2-[[(E,1S)-1-(3-amino-3-oxo-propyl)-4-[4-(diethylamino)phenyl]-4-oxo-but-2-enyl]amino]-1-benzyl-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]carbamate
CID 6478188
Benzyl 4-[[4-[(2-aminophenyl)carbamoyl]phenyl]methylidene]piperidine-1-carboxylate
CID 60198615
Benzyl (1-benzoyl-1,2,3,4-tetrahydroquinolin-7-yl)carbamate
CID 16835059
methyl 2-[[(E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]amino]benzoate
CID 24395067
benzyl N-[[4-[(2-carbamoylphenyl)carbamoyl]phenyl]methyl]carbamate
CID 127044679
Benzoic acid, 4-[(3-oxo-1,3-diphenylpropyl)amino]-, ethyl ester
CID 2931790
benzyl N-[1-[4-(2-aminocyclopropyl)-N-methylanilino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 71245261

Frequently Asked Questions

What is the IUPAC name of benzyl N-[4-(1-benzyl-4-oxo-2,3-dihydropyridin-5-yl)phenyl]carbamate?
The IUPAC name of benzyl N-[4-(1-benzyl-4-oxo-2,3-dihydropyridin-5-yl)phenyl]carbamate (CID 24851540) is benzyl N-[4-(1-benzyl-4-oxo-2,3-dihydropyridin-5-yl)phenyl]carbamate.
What is the SMILES notation for benzyl N-[4-(1-benzyl-4-oxo-2,3-dihydropyridin-5-yl)phenyl]carbamate?
The canonical SMILES for benzyl N-[4-(1-benzyl-4-oxo-2,3-dihydropyridin-5-yl)phenyl]carbamate is O=C(Nc1ccc(C2=CN(Cc3ccccc3)CCC2=O)cc1)OCc1ccccc1.
What is the InChIKey of benzyl N-[4-(1-benzyl-4-oxo-2,3-dihydropyridin-5-yl)phenyl]carbamate?
The InChIKey is COFIYARQVLLCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O3/c29-25-15-16-28(17-20-7-3-1-4-8-20)18-24(25)22-11-13-23(14-12-22)27-26(30)31-19-21-9-5-2-6-10-21/h1-14,18H,15-17,19H2,(H,27,30).
What are the key properties of benzyl N-[4-(1-benzyl-4-oxo-2,3-dihydropyridin-5-yl)phenyl]carbamate?
benzyl N-[4-(1-benzyl-4-oxo-2,3-dihydropyridin-5-yl)phenyl]carbamate has a molecular weight of 412.49 g/mol, XLogP of 5.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[4-(1-benzyl-4-oxo-2,3-dihydropyridin-5-yl)phenyl]carbamate is sourced from PubChem (CID 24851540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).