methyl 6-[(cyclohexanecarbonylamino)methyl]-2-cyclopropylpyridine-3-carboxylate

C18H24N2O3 — CID 75475369

IUPACmethyl 6-[(cyclohexanecarbonylamino)methyl]-2-cyclopropylpyridine-3-carboxylate
SMILESCOC(=O)c1ccc(CNC(=O)C2CCCCC2)nc1C1CC1
InChIInChI=1S/C18H24N2O3/c1-23-18(22)15-10-9-14(20-16(15)12-7-8-12)11-19-17(21)13-5-3-2-4-6-13/h9-10,12-13H,2-8,11H2,1H3,(H,19,21)
InChIKeyAHKWCIADMAWMQX-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.94
Rot. Bonds5

About methyl 6-[(cyclohexanecarbonylamino)methyl]-2-cyclopropylpyridine-3-carboxylate

methyl 6-[(cyclohexanecarbonylamino)methyl]-2-cyclopropylpyridine-3-carboxylate (PubChem CID 75475369) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is methyl 6-[(cyclohexanecarbonylamino)methyl]-2-cyclopropylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(cyclohexanecarbonylamino)methyl]-2-cyclopropylpyridine-3-carboxylate
PubChem CID75475369
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Namemethyl 6-[(cyclohexanecarbonylamino)methyl]-2-cyclopropylpyridine-3-carboxylate
SMILESCOC(=O)c1ccc(CNC(=O)C2CCCCC2)nc1C1CC1
InChIInChI=1S/C18H24N2O3/c1-23-18(22)15-10-9-14(20-16(15)12-7-8-12)11-19-17(21)13-5-3-2-4-6-13/h9-10,12-13H,2-8,11H2,1H3,(H,19,21)
InChIKeyAHKWCIADMAWMQX-UHFFFAOYSA-N
XLogP2.94
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 6-[(cyclohexanecarbonylamino)methyl]-2-cyclopropylpyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(cyclohexanecarbonylamino)methyl]-2-cyclopropylpyridine-3-carboxylate?
The IUPAC name of methyl 6-[(cyclohexanecarbonylamino)methyl]-2-cyclopropylpyridine-3-carboxylate (CID 75475369) is methyl 6-[(cyclohexanecarbonylamino)methyl]-2-cyclopropylpyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[(cyclohexanecarbonylamino)methyl]-2-cyclopropylpyridine-3-carboxylate?
The canonical SMILES for methyl 6-[(cyclohexanecarbonylamino)methyl]-2-cyclopropylpyridine-3-carboxylate is COC(=O)c1ccc(CNC(=O)C2CCCCC2)nc1C1CC1.
What is the InChIKey of methyl 6-[(cyclohexanecarbonylamino)methyl]-2-cyclopropylpyridine-3-carboxylate?
The InChIKey is AHKWCIADMAWMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-23-18(22)15-10-9-14(20-16(15)12-7-8-12)11-19-17(21)13-5-3-2-4-6-13/h9-10,12-13H,2-8,11H2,1H3,(H,19,21).
What are the key properties of methyl 6-[(cyclohexanecarbonylamino)methyl]-2-cyclopropylpyridine-3-carboxylate?
methyl 6-[(cyclohexanecarbonylamino)methyl]-2-cyclopropylpyridine-3-carboxylate has a molecular weight of 316.40 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(cyclohexanecarbonylamino)methyl]-2-cyclopropylpyridine-3-carboxylate is sourced from PubChem (CID 75475369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).