benzyl N-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-methyl-4-pyridinyl]carbamate

C19H22N2O4 — CID 171613853

IUPACbenzyl N-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-methyl-4-pyridinyl]carbamate
SMILESCc1cnc(C2COC(C)(C)O2)cc1NC(=O)OCc1ccccc1
InChIInChI=1S/C19H22N2O4/c1-13-10-20-16(17-12-24-19(2,3)25-17)9-15(13)21-18(22)23-11-14-7-5-4-6-8-14/h4-10,17H,11-12H2,1-3H3,(H,20,21,22)
InChIKeyCIJRTTUVVLZKHI-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.96
Rot. Bonds4

About benzyl N-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-methyl-4-pyridinyl]carbamate

benzyl N-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-methyl-4-pyridinyl]carbamate (PubChem CID 171613853) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is benzyl N-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-methyl-4-pyridinyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-methyl-4-pyridinyl]carbamate
PubChem CID171613853
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Namebenzyl N-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-methyl-4-pyridinyl]carbamate
SMILESCc1cnc(C2COC(C)(C)O2)cc1NC(=O)OCc1ccccc1
InChIInChI=1S/C19H22N2O4/c1-13-10-20-16(17-12-24-19(2,3)25-17)9-15(13)21-18(22)23-11-14-7-5-4-6-8-14/h4-10,17H,11-12H2,1-3H3,(H,20,21,22)
InChIKeyCIJRTTUVVLZKHI-UHFFFAOYSA-N
XLogP3.96
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-fluoro-4-pyridinyl]carbamic acid
CID 175806150
benzyl N-(3-methyl-4-pyridinyl)carbamate
CID 130580947
benzyl N-[(1S)-2-amino-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxoethyl]carbamate
CID 13388547
methyl 2,2-dimethyl-5-(phenylmethoxycarbonylamino)-4H-[1,3]dioxino[4,5-c]pyridine-8-carboxylate
CID 58360340
benzyl N-[2-(2,2-dimethyl-1,3-dioxol-4-yl)-5-fluoro-4-pyridinyl]carbamate
CID 171478557
benzyl 3,3-dimethyl-2,4-dioxabicyclo[4.2.0]octane-7-carboxylate
CID 170055279
trans-methyl (1R,2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-(phenylmethoxycarbonylamino)cyclopropane-1-carboxylate
CID 101253241
benzyl N-(2-methyl-3-pyridinyl)carbamate
CID 10514300
benzyl N-(1-oxaspiro[2.5]octan-6-yl)carbamate
CID 15932630
benzyl N-(4-bromo-2-methylphenyl)carbamate
CID 53217034
benzyl (Z)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
CID 10015565
benzyl N-(2-methyl-6-oxo-1H-pyrimidin-5-yl)carbamate
CID 11161253

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-methyl-4-pyridinyl]carbamate?
The IUPAC name of benzyl N-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-methyl-4-pyridinyl]carbamate (CID 171613853) is benzyl N-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-methyl-4-pyridinyl]carbamate.
What is the SMILES notation for benzyl N-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-methyl-4-pyridinyl]carbamate?
The canonical SMILES for benzyl N-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-methyl-4-pyridinyl]carbamate is Cc1cnc(C2COC(C)(C)O2)cc1NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-methyl-4-pyridinyl]carbamate?
The InChIKey is CIJRTTUVVLZKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-13-10-20-16(17-12-24-19(2,3)25-17)9-15(13)21-18(22)23-11-14-7-5-4-6-8-14/h4-10,17H,11-12H2,1-3H3,(H,20,21,22).
What are the key properties of benzyl N-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-methyl-4-pyridinyl]carbamate?
benzyl N-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-methyl-4-pyridinyl]carbamate has a molecular weight of 342.40 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-methyl-4-pyridinyl]carbamate is sourced from PubChem (CID 171613853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).