tert-butyl N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-N-(4-methyl-2-pyridinyl)carbamate

C19H30N2O2 — CID 124679952

IUPACtert-butyl N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-N-(4-methyl-2-pyridinyl)carbamate
SMILESCc1ccnc(N(C(=O)OC(C)(C)C)[C@@H]2CCC[C@@H](C)[C@@H]2C)c1
InChIInChI=1S/C19H30N2O2/c1-13-10-11-20-17(12-13)21(18(22)23-19(4,5)6)16-9-7-8-14(2)15(16)3/h10-12,14-16H,7-9H2,1-6H3/t14-,15+,16-/m1/s1
InChIKeyIPKDNEZGQOVLQF-OWCLPIDISA-N
MW318.46 g/mol
LogP4.96
Rot. Bonds2

About tert-butyl N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-N-(4-methyl-2-pyridinyl)carbamate

tert-butyl N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-N-(4-methyl-2-pyridinyl)carbamate (PubChem CID 124679952) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is tert-butyl N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-N-(4-methyl-2-pyridinyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-N-(4-methyl-2-pyridinyl)carbamate
PubChem CID124679952
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Nametert-butyl N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-N-(4-methyl-2-pyridinyl)carbamate
SMILESCc1ccnc(N(C(=O)OC(C)(C)C)[C@@H]2CCC[C@@H](C)[C@@H]2C)c1
InChIInChI=1S/C19H30N2O2/c1-13-10-11-20-17(12-13)21(18(22)23-19(4,5)6)16-9-7-8-14(2)15(16)3/h10-12,14-16H,7-9H2,1-6H3/t14-,15+,16-/m1/s1
InChIKeyIPKDNEZGQOVLQF-OWCLPIDISA-N
XLogP4.96
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-N-(4-methyl-2-pyridinyl)carbamate
CID 124679950
tert-butyl N-(2-fluoro-4-methylphenyl)-N-(4-methyl-2-pyridinyl)carbamate
CID 91756539
tert-butyl N-cyclopropyl-N-pyrimidin-4-ylcarbamate
CID 67382235
tert-butyl N-(3-iodophenyl)-N-(4-methyl-2-pyridinyl)carbamate
CID 53414515
tert-butyl N-(2,4-dichlorophenyl)-N-(4-methyl-2-pyridinyl)carbamate
CID 91756732
tert-butyl N-[(3,4-dimethoxyphenyl)methyl]-N-(4-methyl-2-pyridinyl)carbamate
CID 53414297
tert-butyl N-(4-ethenylcyclohexyl)-N-pyridin-2-ylcarbamate
CID 134394425
2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridine-4-carboxylic acid
CID 22036054
tert-butyl N-(4-acetyl-2-pyridinyl)-N-methylcarbamate
CID 70946479
tert-butyl N-(4-bromo-2-pyridinyl)-N-(cyclopropylmethyl)carbamate
CID 131735467
methyl (2S)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(2-methylpropan-2-yl)oxycarbonyl-(4-methyl-2-pyridinyl)amino]pentanoate
CID 170537255
tert-butyl 3-(4-methylpyridine-2-carbonyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171950293

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-N-(4-methyl-2-pyridinyl)carbamate?
The IUPAC name of tert-butyl N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-N-(4-methyl-2-pyridinyl)carbamate (CID 124679952) is tert-butyl N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-N-(4-methyl-2-pyridinyl)carbamate.
What is the SMILES notation for tert-butyl N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-N-(4-methyl-2-pyridinyl)carbamate?
The canonical SMILES for tert-butyl N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-N-(4-methyl-2-pyridinyl)carbamate is Cc1ccnc(N(C(=O)OC(C)(C)C)[C@@H]2CCC[C@@H](C)[C@@H]2C)c1.
What is the InChIKey of tert-butyl N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-N-(4-methyl-2-pyridinyl)carbamate?
The InChIKey is IPKDNEZGQOVLQF-OWCLPIDISA-N. The full InChI is InChI=1S/C19H30N2O2/c1-13-10-11-20-17(12-13)21(18(22)23-19(4,5)6)16-9-7-8-14(2)15(16)3/h10-12,14-16H,7-9H2,1-6H3/t14-,15+,16-/m1/s1.
What are the key properties of tert-butyl N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-N-(4-methyl-2-pyridinyl)carbamate?
tert-butyl N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-N-(4-methyl-2-pyridinyl)carbamate has a molecular weight of 318.46 g/mol, XLogP of 4.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-N-(4-methyl-2-pyridinyl)carbamate is sourced from PubChem (CID 124679952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).