methyl 6-[2-(cyclohexylmethyl)-4-pyridinyl]pyridine-3-carboxylate

C19H22N2O2 — CID 58229549

IUPACmethyl 6-[2-(cyclohexylmethyl)-4-pyridinyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(-c2ccnc(CC3CCCCC3)c2)nc1
InChIInChI=1S/C19H22N2O2/c1-23-19(22)16-7-8-18(21-13-16)15-9-10-20-17(12-15)11-14-5-3-2-4-6-14/h7-10,12-14H,2-6,11H2,1H3
InChIKeyRMIHKERVYHOFSP-UHFFFAOYSA-N
MW310.40 g/mol
LogP4.05
Rot. Bonds4

About methyl 6-[2-(cyclohexylmethyl)-4-pyridinyl]pyridine-3-carboxylate

methyl 6-[2-(cyclohexylmethyl)-4-pyridinyl]pyridine-3-carboxylate (PubChem CID 58229549) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is methyl 6-[2-(cyclohexylmethyl)-4-pyridinyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[2-(cyclohexylmethyl)-4-pyridinyl]pyridine-3-carboxylate
PubChem CID58229549
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Namemethyl 6-[2-(cyclohexylmethyl)-4-pyridinyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(-c2ccnc(CC3CCCCC3)c2)nc1
InChIInChI=1S/C19H22N2O2/c1-23-19(22)16-7-8-18(21-13-16)15-9-10-20-17(12-15)11-14-5-3-2-4-6-14/h7-10,12-14H,2-6,11H2,1H3
InChIKeyRMIHKERVYHOFSP-UHFFFAOYSA-N
XLogP4.05
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Benzyl Nicotinate
CID 7191
Hexyl nicotinate
CID 90202
Methyl quinoline-6-carboxylate
CID 736812
(2,2'-Bipyridine)-5,5'-dicarboxylic acid
CID 192744
2,2'-Bipyridine-3,3'-dicarboxylic Acid
CID 681885
Myristyl Nicotinate
CID 531641
Octyl nicotinate
CID 96462
Ethyl 4-(pyridine-3-carbonylamino)benzoate
CID 279888
trans-3,3,5-Trimethylcyclohexyl nicotinate
CID 10444661
Hepronicate
CID 3588
6-Phenylnicotinic acid
CID 120118
2,2'-Bipyridine-4-Carboxylic Acid
CID 9942424

Frequently Asked Questions

What is the IUPAC name of methyl 6-[2-(cyclohexylmethyl)-4-pyridinyl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[2-(cyclohexylmethyl)-4-pyridinyl]pyridine-3-carboxylate (CID 58229549) is methyl 6-[2-(cyclohexylmethyl)-4-pyridinyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[2-(cyclohexylmethyl)-4-pyridinyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[2-(cyclohexylmethyl)-4-pyridinyl]pyridine-3-carboxylate is COC(=O)c1ccc(-c2ccnc(CC3CCCCC3)c2)nc1.
What is the InChIKey of methyl 6-[2-(cyclohexylmethyl)-4-pyridinyl]pyridine-3-carboxylate?
The InChIKey is RMIHKERVYHOFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-23-19(22)16-7-8-18(21-13-16)15-9-10-20-17(12-15)11-14-5-3-2-4-6-14/h7-10,12-14H,2-6,11H2,1H3.
What are the key properties of methyl 6-[2-(cyclohexylmethyl)-4-pyridinyl]pyridine-3-carboxylate?
methyl 6-[2-(cyclohexylmethyl)-4-pyridinyl]pyridine-3-carboxylate has a molecular weight of 310.40 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[2-(cyclohexylmethyl)-4-pyridinyl]pyridine-3-carboxylate is sourced from PubChem (CID 58229549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).