methyl 4-[(5-chloro-2-methylpyridine-3-carbonyl)amino]cyclohexane-1-carboxylate

C15H19ClN2O3 — CID 67185079

IUPACmethyl 4-[(5-chloro-2-methylpyridine-3-carbonyl)amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(NC(=O)c2cc(Cl)cnc2C)CC1
InChIInChI=1S/C15H19ClN2O3/c1-9-13(7-11(16)8-17-9)14(19)18-12-5-3-10(4-6-12)15(20)21-2/h7-8,10,12H,3-6H2,1-2H3,(H,18,19)
InChIKeyBFBGCTQJOOBVKB-UHFFFAOYSA-N
MW310.78 g/mol
LogP2.51
Rot. Bonds3

About methyl 4-[(5-chloro-2-methylpyridine-3-carbonyl)amino]cyclohexane-1-carboxylate

methyl 4-[(5-chloro-2-methylpyridine-3-carbonyl)amino]cyclohexane-1-carboxylate (PubChem CID 67185079) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is methyl 4-[(5-chloro-2-methylpyridine-3-carbonyl)amino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(5-chloro-2-methylpyridine-3-carbonyl)amino]cyclohexane-1-carboxylate
PubChem CID67185079
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Namemethyl 4-[(5-chloro-2-methylpyridine-3-carbonyl)amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(NC(=O)c2cc(Cl)cnc2C)CC1
InChIInChI=1S/C15H19ClN2O3/c1-9-13(7-11(16)8-17-9)14(19)18-12-5-3-10(4-6-12)15(20)21-2/h7-8,10,12H,3-6H2,1-2H3,(H,18,19)
InChIKeyBFBGCTQJOOBVKB-UHFFFAOYSA-N
XLogP2.51
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-methyl-N-[4-[(pyrimidin-2-ylamino)methyl]cyclohexyl]pyridine-3-carboxamide
CID 44814574
methyl 4-[(2-chloro-4-methylbenzoyl)amino]cyclohexane-1-carboxylate
CID 103581955
methyl 4-[(6-chloropyridine-3-carbonyl)amino]cyclohexane-1-carboxylate
CID 115617107
methyl 4-[(2-methoxypyridine-3-carbonyl)amino]cyclohexane-1-carboxylate
CID 115617208
methyl 4-[(4-hydroxy-2-methylbenzoyl)amino]cyclohexane-1-carboxylate
CID 103865460
methyl 4-[(4-methyl-1,3-oxazole-5-carbonyl)amino]cyclohexane-1-carboxylate
CID 113248111
5-chloro-N-[4-[[5-(difluoromethyl)-3-methylpyrazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide
CID 121285981
5-amino-N-cyclohexyl-2-methylpyridine-3-carboxamide
CID 61039080
5-chloro-N-[4-[[3-[2-(2-methoxyphenyl)-2-oxoethyl]-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide
CID 146172513
methyl 4-(thiadiazole-5-carbonylamino)cyclohexane-1-carboxylate
CID 113232923
methyl 4-[(2,3-dihydroxybenzoyl)amino]cyclohexane-1-carboxylate
CID 114345140
5-chloro-N-[4-[(3,3-dimethyl-2-oxopyrrolo[3,2-b]pyridin-1-yl)methyl]cyclohexyl]-2-methylpyridine-3-carboxamide
CID 53341070

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(5-chloro-2-methylpyridine-3-carbonyl)amino]cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-[(5-chloro-2-methylpyridine-3-carbonyl)amino]cyclohexane-1-carboxylate (CID 67185079) is methyl 4-[(5-chloro-2-methylpyridine-3-carbonyl)amino]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-[(5-chloro-2-methylpyridine-3-carbonyl)amino]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-[(5-chloro-2-methylpyridine-3-carbonyl)amino]cyclohexane-1-carboxylate is COC(=O)C1CCC(NC(=O)c2cc(Cl)cnc2C)CC1.
What is the InChIKey of methyl 4-[(5-chloro-2-methylpyridine-3-carbonyl)amino]cyclohexane-1-carboxylate?
The InChIKey is BFBGCTQJOOBVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-9-13(7-11(16)8-17-9)14(19)18-12-5-3-10(4-6-12)15(20)21-2/h7-8,10,12H,3-6H2,1-2H3,(H,18,19).
What are the key properties of methyl 4-[(5-chloro-2-methylpyridine-3-carbonyl)amino]cyclohexane-1-carboxylate?
methyl 4-[(5-chloro-2-methylpyridine-3-carbonyl)amino]cyclohexane-1-carboxylate has a molecular weight of 310.78 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(5-chloro-2-methylpyridine-3-carbonyl)amino]cyclohexane-1-carboxylate is sourced from PubChem (CID 67185079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).