benzyl N-[2-oxo-2-[(2-pyridin-4-yl-4-pyridinyl)methylamino]ethyl]carbamate

C21H20N4O3 — CID 121165477

IUPACbenzyl N-[2-oxo-2-[(2-pyridin-4-yl-4-pyridinyl)methylamino]ethyl]carbamate
SMILESO=C(CNC(=O)OCc1ccccc1)NCc1ccnc(-c2ccncc2)c1
InChIInChI=1S/C21H20N4O3/c26-20(14-25-21(27)28-15-16-4-2-1-3-5-16)24-13-17-6-11-23-19(12-17)18-7-9-22-10-8-18/h1-12H,13-15H2,(H,24,26)(H,25,27)
InChIKeyQPKOTIZMFNLQOE-UHFFFAOYSA-N
MW376.42 g/mol
LogP2.69
Rot. Bonds7

About benzyl N-[2-oxo-2-[(2-pyridin-4-yl-4-pyridinyl)methylamino]ethyl]carbamate

benzyl N-[2-oxo-2-[(2-pyridin-4-yl-4-pyridinyl)methylamino]ethyl]carbamate (PubChem CID 121165477) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is benzyl N-[2-oxo-2-[(2-pyridin-4-yl-4-pyridinyl)methylamino]ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-oxo-2-[(2-pyridin-4-yl-4-pyridinyl)methylamino]ethyl]carbamate
PubChem CID121165477
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Namebenzyl N-[2-oxo-2-[(2-pyridin-4-yl-4-pyridinyl)methylamino]ethyl]carbamate
SMILESO=C(CNC(=O)OCc1ccccc1)NCc1ccnc(-c2ccncc2)c1
InChIInChI=1S/C21H20N4O3/c26-20(14-25-21(27)28-15-16-4-2-1-3-5-16)24-13-17-6-11-23-19(12-17)18-7-9-22-10-8-18/h1-12H,13-15H2,(H,24,26)(H,25,27)
InChIKeyQPKOTIZMFNLQOE-UHFFFAOYSA-N
XLogP2.69
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl N-[2-oxo-2-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]ethyl]carbamate
CID 154775336
benzyl N-[2-oxo-2-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methylamino]ethyl]carbamate
CID 122246102
2-(2-fluorophenoxy)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]acetamide
CID 121165301
N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-2-pyrrol-1-ylacetamide
CID 119100867
1-(3-phenylpropyl)-3-[(2-pyridin-4-yl-4-pyridinyl)methyl]urea
CID 121165553
benzyl N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]carbamate
CID 101435256
3-phenyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-1H-pyrazole-5-carboxamide
CID 121165402
2-(4-methylphenoxy)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]acetamide
CID 121165464
(2S)-2-phenoxy-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]propanamide
CID 129354694
methyl 2-[(2-pyridin-4-yl-4-pyridinyl)methylcarbamoyl]benzoate
CID 121165433
benzyl N-[2-[[3-(furan-3-yl)pyrazin-2-yl]methylamino]-2-oxoethyl]carbamate
CID 122162983
1-(2,6-difluorophenyl)-3-[(2-pyridin-4-yl-4-pyridinyl)methyl]urea
CID 121165562

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-oxo-2-[(2-pyridin-4-yl-4-pyridinyl)methylamino]ethyl]carbamate?
The IUPAC name of benzyl N-[2-oxo-2-[(2-pyridin-4-yl-4-pyridinyl)methylamino]ethyl]carbamate (CID 121165477) is benzyl N-[2-oxo-2-[(2-pyridin-4-yl-4-pyridinyl)methylamino]ethyl]carbamate.
What is the SMILES notation for benzyl N-[2-oxo-2-[(2-pyridin-4-yl-4-pyridinyl)methylamino]ethyl]carbamate?
The canonical SMILES for benzyl N-[2-oxo-2-[(2-pyridin-4-yl-4-pyridinyl)methylamino]ethyl]carbamate is O=C(CNC(=O)OCc1ccccc1)NCc1ccnc(-c2ccncc2)c1.
What is the InChIKey of benzyl N-[2-oxo-2-[(2-pyridin-4-yl-4-pyridinyl)methylamino]ethyl]carbamate?
The InChIKey is QPKOTIZMFNLQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c26-20(14-25-21(27)28-15-16-4-2-1-3-5-16)24-13-17-6-11-23-19(12-17)18-7-9-22-10-8-18/h1-12H,13-15H2,(H,24,26)(H,25,27).
What are the key properties of benzyl N-[2-oxo-2-[(2-pyridin-4-yl-4-pyridinyl)methylamino]ethyl]carbamate?
benzyl N-[2-oxo-2-[(2-pyridin-4-yl-4-pyridinyl)methylamino]ethyl]carbamate has a molecular weight of 376.42 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-oxo-2-[(2-pyridin-4-yl-4-pyridinyl)methylamino]ethyl]carbamate is sourced from PubChem (CID 121165477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).