methyl 1-[(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)amino]cyclohexane-1-carboxylate

C17H23ClN2O4 — CID 55870839

IUPACmethyl 1-[(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)c2cnc(OC(C)C)c(Cl)c2)CCCCC1
InChIInChI=1S/C17H23ClN2O4/c1-11(2)24-15-13(18)9-12(10-19-15)14(21)20-17(16(22)23-3)7-5-4-6-8-17/h9-11H,4-8H2,1-3H3,(H,20,21)
InChIKeyYTSLMFOXBLJFQN-UHFFFAOYSA-N
MW354.83 g/mol
LogP3.13
Rot. Bonds5

About methyl 1-[(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)amino]cyclohexane-1-carboxylate

methyl 1-[(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)amino]cyclohexane-1-carboxylate (PubChem CID 55870839) has the molecular formula C17H23ClN2O4 and a molecular weight of 354.83 g/mol. Its IUPAC name is methyl 1-[(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)amino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)amino]cyclohexane-1-carboxylate
PubChem CID55870839
Molecular FormulaC17H23ClN2O4
Molecular Weight354.83 g/mol
Exact Mass354.13
IUPAC Namemethyl 1-[(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)c2cnc(OC(C)C)c(Cl)c2)CCCCC1
InChIInChI=1S/C17H23ClN2O4/c1-11(2)24-15-13(18)9-12(10-19-15)14(21)20-17(16(22)23-3)7-5-4-6-8-17/h9-11H,4-8H2,1-3H3,(H,20,21)
InChIKeyYTSLMFOXBLJFQN-UHFFFAOYSA-N
XLogP3.13
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.83
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 1-[(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)amino]cyclohexane-1-carboxylate with MolForge

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Related Compounds

5-chloro-N-(1-cyclopropylethyl)-6-propan-2-yloxypyridine-3-carboxamide
CID 75415942
methyl 1-[(5-methylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylate
CID 71995092
5,6-dichloro-N-(1-methylcyclopentyl)pyridine-3-carboxamide
CID 61367940
5-chloro-N-(3-hydroxypropyl)-6-propan-2-yloxypyridine-3-carboxamide
CID 78904618
5-chloro-N-(1-cyclopropylpiperidin-4-yl)-6-propan-2-yloxypyridine-3-carboxamide
CID 47059655
methyl 1-[(6-chloropyridine-3-carbonyl)amino]cyclopropane-1-carboxylate
CID 117062757
5-chloro-N-(5-phenyl-2-pyridinyl)-6-propan-2-yloxypyridine-3-carboxamide
CID 55951557
5-chloro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-6-propan-2-yloxypyridine-3-carboxamide
CID 55854474
2-amino-1-(5-chloro-6-propan-2-yloxy-3-pyridinyl)ethanone;hydrochloride
CID 141116458
methyl 1-[(4-butoxy-3-chloro-5-ethoxybenzoyl)amino]cyclopentane-1-carboxylate
CID 55561058
N-(2-tert-butylsulfanylethyl)-5-chloro-6-propan-2-yloxypyridine-3-carboxamide
CID 86883963
5-chloro-N-(4-methyl-1,3-thiazol-2-yl)-6-propan-2-yloxypyridine-3-carboxamide
CID 47293511

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)amino]cyclohexane-1-carboxylate?
The IUPAC name of methyl 1-[(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)amino]cyclohexane-1-carboxylate (CID 55870839) is methyl 1-[(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)amino]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 1-[(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)amino]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 1-[(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)amino]cyclohexane-1-carboxylate is COC(=O)C1(NC(=O)c2cnc(OC(C)C)c(Cl)c2)CCCCC1.
What is the InChIKey of methyl 1-[(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)amino]cyclohexane-1-carboxylate?
The InChIKey is YTSLMFOXBLJFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O4/c1-11(2)24-15-13(18)9-12(10-19-15)14(21)20-17(16(22)23-3)7-5-4-6-8-17/h9-11H,4-8H2,1-3H3,(H,20,21).
What are the key properties of methyl 1-[(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)amino]cyclohexane-1-carboxylate?
methyl 1-[(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)amino]cyclohexane-1-carboxylate has a molecular weight of 354.83 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)amino]cyclohexane-1-carboxylate is sourced from PubChem (CID 55870839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).