methane;methyl N-[(2R,6S)-4-(3-amino-4-pyridinyl)-2,6-dimethylcyclohexyl]-N-methylcarbamate

C17H29N3O2 — CID 158503670

IUPACmethane;methyl N-[(2R,6S)-4-(3-amino-4-pyridinyl)-2,6-dimethylcyclohexyl]-N-methylcarbamate
SMILESC.COC(=O)N(C)C1[C@H](C)CC(c2ccncc2N)C[C@@H]1C
InChIInChI=1S/C16H25N3O2.CH4/c1-10-7-12(13-5-6-18-9-14(13)17)8-11(2)15(10)19(3)16(20)21-4;/h5-6,9-12,15H,7-8,17H2,1-4H3;1H4/t10-,11+,12?,15?;
InChIKeyHKFCJPHBEAQGCP-PYIBLHNDSA-N
MW307.44 g/mol
LogP3.52
Rot. Bonds2

About methane;methyl N-[(2R,6S)-4-(3-amino-4-pyridinyl)-2,6-dimethylcyclohexyl]-N-methylcarbamate

methane;methyl N-[(2R,6S)-4-(3-amino-4-pyridinyl)-2,6-dimethylcyclohexyl]-N-methylcarbamate (PubChem CID 158503670) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is methane;methyl N-[(2R,6S)-4-(3-amino-4-pyridinyl)-2,6-dimethylcyclohexyl]-N-methylcarbamate.

Molecular Properties

Compound Namemethane;methyl N-[(2R,6S)-4-(3-amino-4-pyridinyl)-2,6-dimethylcyclohexyl]-N-methylcarbamate
PubChem CID158503670
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Namemethane;methyl N-[(2R,6S)-4-(3-amino-4-pyridinyl)-2,6-dimethylcyclohexyl]-N-methylcarbamate
SMILESC.COC(=O)N(C)C1[C@H](C)CC(c2ccncc2N)C[C@@H]1C
InChIInChI=1S/C16H25N3O2.CH4/c1-10-7-12(13-5-6-18-9-14(13)17)8-11(2)15(10)19(3)16(20)21-4;/h5-6,9-12,15H,7-8,17H2,1-4H3;1H4/t10-,11+,12?,15?;
InChIKeyHKFCJPHBEAQGCP-PYIBLHNDSA-N
XLogP3.52
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methane;methyl N-[(2R,6S)-4-(3-amino-4-pyridinyl)-2,6-dimethylcyclohexyl]-N-methylcarbamate with MolForge

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Related Compounds

[3-(3-amino-4-pyridinyl)-5-propan-2-ylcyclohexyl]carbamic acid
CID 70654981
[(1R,3R,5S)-3-(3-amino-4-pyridinyl)-5-propan-2-ylcyclohexyl]carbamic acid
CID 70654626
(1S,2S,4S,6R)-4-(3-amino-4-pyridinyl)-2-[tert-butyl(dimethyl)silyl]oxy-1,6-dimethylcyclohexan-1-ol
CID 70656065
benzyl N-[(6S,8S,10R)-8-(3-amino-4-pyridinyl)-10-methyl-1,4-dioxaspiro[4.5]decan-6-yl]carbamate
CID 86705287
benzyl N-[(6R,8R,10S)-8-(3-amino-4-pyridinyl)-10-methyl-1,4-dioxaspiro[4.5]decan-6-yl]carbamate
CID 86705288
tert-butyl 5-(3-amino-4-pyridinyl)-7-methyl-2-oxo-1,3,3a,4,5,6-hexahydroindole-3-carboxylate
CID 141248060
tert-butyl N-[(1R,2R)-5-(3-amino-4-pyridinyl)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]carbamate
CID 59455656
methyl N-[(1S,2R,4R,6S)-2-amino-4-[3-[[2-[2,6-difluoro-4-(methoxymethyl)phenyl]imidazo[1,5-b]pyridazin-7-yl]amino]-4-pyridinyl]-6-methylcyclohexyl]-N-methylcarbamate
CID 90252125
tert-butyl N-[(2S,4R,6S)-2-(3-amino-4-pyridinyl)-6-methyloxan-4-yl]carbamate
CID 123505509
1-[(1S,2R)-4-(3-amino-4-pyridinyl)-2-methylcyclohexyl]pyridin-2-one
CID 163773189
tert-butyl 2-[(2S,3R,4R,6S)-6-(3-amino-4-pyridinyl)-3-hydroxy-2,3-dimethyloxan-4-yl]acetate
CID 157330908
4-(3-aminocyclohexyl)pyridin-3-amine
CID 67500188

Frequently Asked Questions

What is the IUPAC name of methane;methyl N-[(2R,6S)-4-(3-amino-4-pyridinyl)-2,6-dimethylcyclohexyl]-N-methylcarbamate?
The IUPAC name of methane;methyl N-[(2R,6S)-4-(3-amino-4-pyridinyl)-2,6-dimethylcyclohexyl]-N-methylcarbamate (CID 158503670) is methane;methyl N-[(2R,6S)-4-(3-amino-4-pyridinyl)-2,6-dimethylcyclohexyl]-N-methylcarbamate.
What is the SMILES notation for methane;methyl N-[(2R,6S)-4-(3-amino-4-pyridinyl)-2,6-dimethylcyclohexyl]-N-methylcarbamate?
The canonical SMILES for methane;methyl N-[(2R,6S)-4-(3-amino-4-pyridinyl)-2,6-dimethylcyclohexyl]-N-methylcarbamate is C.COC(=O)N(C)C1[C@H](C)CC(c2ccncc2N)C[C@@H]1C.
What is the InChIKey of methane;methyl N-[(2R,6S)-4-(3-amino-4-pyridinyl)-2,6-dimethylcyclohexyl]-N-methylcarbamate?
The InChIKey is HKFCJPHBEAQGCP-PYIBLHNDSA-N. The full InChI is InChI=1S/C16H25N3O2.CH4/c1-10-7-12(13-5-6-18-9-14(13)17)8-11(2)15(10)19(3)16(20)21-4;/h5-6,9-12,15H,7-8,17H2,1-4H3;1H4/t10-,11+,12?,15?;.
What are the key properties of methane;methyl N-[(2R,6S)-4-(3-amino-4-pyridinyl)-2,6-dimethylcyclohexyl]-N-methylcarbamate?
methane;methyl N-[(2R,6S)-4-(3-amino-4-pyridinyl)-2,6-dimethylcyclohexyl]-N-methylcarbamate has a molecular weight of 307.44 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;methyl N-[(2R,6S)-4-(3-amino-4-pyridinyl)-2,6-dimethylcyclohexyl]-N-methylcarbamate is sourced from PubChem (CID 158503670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).