benzyl N-[1-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-oxo-3-pyridinyl]carbamate

C21H21N3O4 — CID 140747518

IUPACbenzyl N-[1-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-oxo-3-pyridinyl]carbamate
SMILESCC(C)(O)c1ccc(-n2cccc(NC(=O)OCc3ccccc3)c2=O)nc1
InChIInChI=1S/C21H21N3O4/c1-21(2,27)16-10-11-18(22-13-16)24-12-6-9-17(19(24)25)23-20(26)28-14-15-7-4-3-5-8-15/h3-13,27H,14H2,1-2H3,(H,23,26)
InChIKeyPNBOINTVTUCGPZ-UHFFFAOYSA-N
MW379.42 g/mol
LogP3.21
Rot. Bonds5

About benzyl N-[1-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-oxo-3-pyridinyl]carbamate

benzyl N-[1-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-oxo-3-pyridinyl]carbamate (PubChem CID 140747518) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is benzyl N-[1-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-oxo-3-pyridinyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-oxo-3-pyridinyl]carbamate
PubChem CID140747518
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC Namebenzyl N-[1-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-oxo-3-pyridinyl]carbamate
SMILESCC(C)(O)c1ccc(-n2cccc(NC(=O)OCc3ccccc3)c2=O)nc1
InChIInChI=1S/C21H21N3O4/c1-21(2,27)16-10-11-18(22-13-16)24-12-6-9-17(19(24)25)23-20(26)28-14-15-7-4-3-5-8-15/h3-13,27H,14H2,1-2H3,(H,23,26)
InChIKeyPNBOINTVTUCGPZ-UHFFFAOYSA-N
XLogP3.21
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze benzyl N-[1-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-oxo-3-pyridinyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl N-[2-oxo-1-(1,3-thiazol-2-yl)-3-pyridinyl]carbamate
CID 118155175
3-amino-1-(1,3-thiazol-2-yl)pyridin-2-one;benzyl N-[2-oxo-1-(1,3-thiazol-2-yl)-3-pyridinyl]carbamate
CID 158312689
2-[2-oxo-3-(phenylmethoxycarbonylamino)-1-pyridinyl]propanoic acid
CID 66854688
benzyl N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)carbamate
CID 70699902
benzyl N-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]carbamate
CID 167736278
benzyl N-(2-methyl-3-pyridinyl)carbamate
CID 10514300
benzyl N-(2-methyl-6-oxo-1H-pyrimidin-5-yl)carbamate
CID 11161253
benzyl N-(2-tert-butyl-5-methoxy-4-pyridinyl)carbamate
CID 91489110
benzyl N-(2-iodophenyl)carbamate
CID 10959121
benzyl N-(2-bromophenyl)carbamate
CID 4935706
benzyl N-(1-tert-butyl-2-oxopyrimidin-4-yl)carbamate
CID 118527129
benzyl N-(3-methyl-4-pyridinyl)carbamate
CID 130580947

Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-oxo-3-pyridinyl]carbamate?
The IUPAC name of benzyl N-[1-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-oxo-3-pyridinyl]carbamate (CID 140747518) is benzyl N-[1-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-oxo-3-pyridinyl]carbamate.
What is the SMILES notation for benzyl N-[1-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-oxo-3-pyridinyl]carbamate?
The canonical SMILES for benzyl N-[1-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-oxo-3-pyridinyl]carbamate is CC(C)(O)c1ccc(-n2cccc(NC(=O)OCc3ccccc3)c2=O)nc1.
What is the InChIKey of benzyl N-[1-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-oxo-3-pyridinyl]carbamate?
The InChIKey is PNBOINTVTUCGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-21(2,27)16-10-11-18(22-13-16)24-12-6-9-17(19(24)25)23-20(26)28-14-15-7-4-3-5-8-15/h3-13,27H,14H2,1-2H3,(H,23,26).
What are the key properties of benzyl N-[1-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-oxo-3-pyridinyl]carbamate?
benzyl N-[1-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-oxo-3-pyridinyl]carbamate has a molecular weight of 379.42 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-oxo-3-pyridinyl]carbamate is sourced from PubChem (CID 140747518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).