methyl 4-[(6-chloropyridine-3-carbonyl)amino]cyclohexane-1-carboxylate

C14H17ClN2O3 — CID 115617107

IUPACmethyl 4-[(6-chloropyridine-3-carbonyl)amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(NC(=O)c2ccc(Cl)nc2)CC1
InChIInChI=1S/C14H17ClN2O3/c1-20-14(19)9-2-5-11(6-3-9)17-13(18)10-4-7-12(15)16-8-10/h4,7-9,11H,2-3,5-6H2,1H3,(H,17,18)
InChIKeyOCPARYCLCVZEFH-UHFFFAOYSA-N
MW296.75 g/mol
LogP2.20
Rot. Bonds3

About methyl 4-[(6-chloropyridine-3-carbonyl)amino]cyclohexane-1-carboxylate

methyl 4-[(6-chloropyridine-3-carbonyl)amino]cyclohexane-1-carboxylate (PubChem CID 115617107) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is methyl 4-[(6-chloropyridine-3-carbonyl)amino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(6-chloropyridine-3-carbonyl)amino]cyclohexane-1-carboxylate
PubChem CID115617107
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC Namemethyl 4-[(6-chloropyridine-3-carbonyl)amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(NC(=O)c2ccc(Cl)nc2)CC1
InChIInChI=1S/C14H17ClN2O3/c1-20-14(19)9-2-5-11(6-3-9)17-13(18)10-4-7-12(15)16-8-10/h4,7-9,11H,2-3,5-6H2,1H3,(H,17,18)
InChIKeyOCPARYCLCVZEFH-UHFFFAOYSA-N
XLogP2.20
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[(6-bromopyridine-3-carbonyl)amino]cyclohexane-1-carboxylate
CID 115669882
6-chloro-N-(3-methoxycyclobutyl)pyridine-3-carboxamide
CID 104578722
methyl 4-[(4-iodobenzoyl)amino]cyclohexane-1-carboxylate
CID 115617185
methyl 4-[(4-bromobenzoyl)amino]cyclohexane-1-carboxylate
CID 115617198
6-chloro-N-(3-ethoxycyclobutyl)pyridine-3-carboxamide
CID 102610570
6-chloro-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide
CID 47375161
6-chloro-N-(3-ethylsulfanylcyclopentyl)pyridine-3-carboxamide
CID 103709555
methyl 4-[(5-chloro-2-methylpyridine-3-carbonyl)amino]cyclohexane-1-carboxylate
CID 67185079
6-chloro-N-[4-(cyclopropylamino)-4-oxobutyl]pyridine-3-carboxamide
CID 112731614
trans-(1R,3R)-3-[(6-methylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 97318292
methyl 4-[(4-piperidin-4-ylbenzoyl)amino]cyclohexane-1-carboxylate
CID 67844920
6-chloro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-3-carboxamide
CID 22318688

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(6-chloropyridine-3-carbonyl)amino]cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-[(6-chloropyridine-3-carbonyl)amino]cyclohexane-1-carboxylate (CID 115617107) is methyl 4-[(6-chloropyridine-3-carbonyl)amino]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-[(6-chloropyridine-3-carbonyl)amino]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-[(6-chloropyridine-3-carbonyl)amino]cyclohexane-1-carboxylate is COC(=O)C1CCC(NC(=O)c2ccc(Cl)nc2)CC1.
What is the InChIKey of methyl 4-[(6-chloropyridine-3-carbonyl)amino]cyclohexane-1-carboxylate?
The InChIKey is OCPARYCLCVZEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3/c1-20-14(19)9-2-5-11(6-3-9)17-13(18)10-4-7-12(15)16-8-10/h4,7-9,11H,2-3,5-6H2,1H3,(H,17,18).
What are the key properties of methyl 4-[(6-chloropyridine-3-carbonyl)amino]cyclohexane-1-carboxylate?
methyl 4-[(6-chloropyridine-3-carbonyl)amino]cyclohexane-1-carboxylate has a molecular weight of 296.75 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(6-chloropyridine-3-carbonyl)amino]cyclohexane-1-carboxylate is sourced from PubChem (CID 115617107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).