methyl 4-(4-cyclopropylimidazol-1-yl)-5-[4-(methylcarbamoyl)piperidin-1-yl]pyridine-2-carboxylate

C20H25N5O3 — CID 162517357

IUPACmethyl 4-(4-cyclopropylimidazol-1-yl)-5-[4-(methylcarbamoyl)piperidin-1-yl]pyridine-2-carboxylate
SMILESCNC(=O)C1CCN(c2cnc(C(=O)OC)cc2-n2cnc(C3CC3)c2)CC1
InChIInChI=1S/C20H25N5O3/c1-21-19(26)14-5-7-24(8-6-14)18-10-22-15(20(27)28-2)9-17(18)25-11-16(23-12-25)13-3-4-13/h9-14H,3-8H2,1-2H3,(H,21,26)
InChIKeyCZHNXNCDZIOXAO-UHFFFAOYSA-N
MW383.45 g/mol
LogP1.89
Rot. Bonds5

About methyl 4-(4-cyclopropylimidazol-1-yl)-5-[4-(methylcarbamoyl)piperidin-1-yl]pyridine-2-carboxylate

methyl 4-(4-cyclopropylimidazol-1-yl)-5-[4-(methylcarbamoyl)piperidin-1-yl]pyridine-2-carboxylate (PubChem CID 162517357) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is methyl 4-(4-cyclopropylimidazol-1-yl)-5-[4-(methylcarbamoyl)piperidin-1-yl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-cyclopropylimidazol-1-yl)-5-[4-(methylcarbamoyl)piperidin-1-yl]pyridine-2-carboxylate
PubChem CID162517357
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Namemethyl 4-(4-cyclopropylimidazol-1-yl)-5-[4-(methylcarbamoyl)piperidin-1-yl]pyridine-2-carboxylate
SMILESCNC(=O)C1CCN(c2cnc(C(=O)OC)cc2-n2cnc(C3CC3)c2)CC1
InChIInChI=1S/C20H25N5O3/c1-21-19(26)14-5-7-24(8-6-14)18-10-22-15(20(27)28-2)9-17(18)25-11-16(23-12-25)13-3-4-13/h9-14H,3-8H2,1-2H3,(H,21,26)
InChIKeyCZHNXNCDZIOXAO-UHFFFAOYSA-N
XLogP1.89
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-cyclopropylimidazol-1-yl)-5-[4-(methylcarbamoyl)piperidin-1-yl]pyridine-2-carboxylate?
The IUPAC name of methyl 4-(4-cyclopropylimidazol-1-yl)-5-[4-(methylcarbamoyl)piperidin-1-yl]pyridine-2-carboxylate (CID 162517357) is methyl 4-(4-cyclopropylimidazol-1-yl)-5-[4-(methylcarbamoyl)piperidin-1-yl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-(4-cyclopropylimidazol-1-yl)-5-[4-(methylcarbamoyl)piperidin-1-yl]pyridine-2-carboxylate?
The canonical SMILES for methyl 4-(4-cyclopropylimidazol-1-yl)-5-[4-(methylcarbamoyl)piperidin-1-yl]pyridine-2-carboxylate is CNC(=O)C1CCN(c2cnc(C(=O)OC)cc2-n2cnc(C3CC3)c2)CC1.
What is the InChIKey of methyl 4-(4-cyclopropylimidazol-1-yl)-5-[4-(methylcarbamoyl)piperidin-1-yl]pyridine-2-carboxylate?
The InChIKey is CZHNXNCDZIOXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-21-19(26)14-5-7-24(8-6-14)18-10-22-15(20(27)28-2)9-17(18)25-11-16(23-12-25)13-3-4-13/h9-14H,3-8H2,1-2H3,(H,21,26).
What are the key properties of methyl 4-(4-cyclopropylimidazol-1-yl)-5-[4-(methylcarbamoyl)piperidin-1-yl]pyridine-2-carboxylate?
methyl 4-(4-cyclopropylimidazol-1-yl)-5-[4-(methylcarbamoyl)piperidin-1-yl]pyridine-2-carboxylate has a molecular weight of 383.45 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-cyclopropylimidazol-1-yl)-5-[4-(methylcarbamoyl)piperidin-1-yl]pyridine-2-carboxylate is sourced from PubChem (CID 162517357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).