benzyl N-[4-(3-methylcyclohexyl)-3-pyridinyl]carbamate

C20H24N2O2 — CID 123289925

IUPACbenzyl N-[4-(3-methylcyclohexyl)-3-pyridinyl]carbamate
SMILESCC1CCCC(c2ccncc2NC(=O)OCc2ccccc2)C1
InChIInChI=1S/C20H24N2O2/c1-15-6-5-9-17(12-15)18-10-11-21-13-19(18)22-20(23)24-14-16-7-3-2-4-8-16/h2-4,7-8,10-11,13,15,17H,5-6,9,12,14H2,1H3,(H,22,23)
InChIKeyIADZCDKLEZGOBZ-UHFFFAOYSA-N
MW324.42 g/mol
LogP5.12
Rot. Bonds4

About benzyl N-[4-(3-methylcyclohexyl)-3-pyridinyl]carbamate

benzyl N-[4-(3-methylcyclohexyl)-3-pyridinyl]carbamate (PubChem CID 123289925) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is benzyl N-[4-(3-methylcyclohexyl)-3-pyridinyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[4-(3-methylcyclohexyl)-3-pyridinyl]carbamate
PubChem CID123289925
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Namebenzyl N-[4-(3-methylcyclohexyl)-3-pyridinyl]carbamate
SMILESCC1CCCC(c2ccncc2NC(=O)OCc2ccccc2)C1
InChIInChI=1S/C20H24N2O2/c1-15-6-5-9-17(12-15)18-10-11-21-13-19(18)22-20(23)24-14-16-7-3-2-4-8-16/h2-4,7-8,10-11,13,15,17H,5-6,9,12,14H2,1H3,(H,22,23)
InChIKeyIADZCDKLEZGOBZ-UHFFFAOYSA-N
XLogP5.12
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.42
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(6R,8R,10S)-10-methyl-8-[3-(phenylmethoxycarbonylamino)-4-pyridinyl]-1,4-dioxaspiro[4.5]decan-6-yl]carbamic acid
CID 90023505
benzyl N-(3-methyl-4-pyridinyl)carbamate
CID 130580947
benzyl N-(3-methylcyclohexyl)carbamate
CID 67989254
benzyl N-[(3-methylcyclohexyl)methyl]carbamate
CID 130157820
benzyl N-[6-[3-[6-(phenylmethoxycarbonylamino)pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]carbamate
CID 123725995
3-(3-methylcyclohexyl)-3-(phenylmethoxycarbonylamino)propanoic acid
CID 103695947
benzyl 2-[4-[(1R,3S,5S)-3-hydroxy-5-methylcyclohexyl]-3-pyridinyl]acetate
CID 147160619
4-(3-methylcyclohexyl)-N-phenylmethoxybenzamide
CID 143807833
benzyl N-[[(1S)-3-methylcyclohexyl]-(2-methyl-1H-imidazol-5-yl)methyl]carbamate
CID 178159822
benzyl 2-[(1S,3R)-3-methylcyclohexyl]acetate
CID 135265580
benzyl 2,4-dimethylazepane-1-carboxylate
CID 118248110
benzyl N-[(6R,8R,10S)-8-(3-amino-4-pyridinyl)-10-methyl-1,4-dioxaspiro[4.5]decan-6-yl]carbamate
CID 86705288

Frequently Asked Questions

What is the IUPAC name of benzyl N-[4-(3-methylcyclohexyl)-3-pyridinyl]carbamate?
The IUPAC name of benzyl N-[4-(3-methylcyclohexyl)-3-pyridinyl]carbamate (CID 123289925) is benzyl N-[4-(3-methylcyclohexyl)-3-pyridinyl]carbamate.
What is the SMILES notation for benzyl N-[4-(3-methylcyclohexyl)-3-pyridinyl]carbamate?
The canonical SMILES for benzyl N-[4-(3-methylcyclohexyl)-3-pyridinyl]carbamate is CC1CCCC(c2ccncc2NC(=O)OCc2ccccc2)C1.
What is the InChIKey of benzyl N-[4-(3-methylcyclohexyl)-3-pyridinyl]carbamate?
The InChIKey is IADZCDKLEZGOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-15-6-5-9-17(12-15)18-10-11-21-13-19(18)22-20(23)24-14-16-7-3-2-4-8-16/h2-4,7-8,10-11,13,15,17H,5-6,9,12,14H2,1H3,(H,22,23).
What are the key properties of benzyl N-[4-(3-methylcyclohexyl)-3-pyridinyl]carbamate?
benzyl N-[4-(3-methylcyclohexyl)-3-pyridinyl]carbamate has a molecular weight of 324.42 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[4-(3-methylcyclohexyl)-3-pyridinyl]carbamate is sourced from PubChem (CID 123289925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).