methyl 5-amino-2-[4-(cyclohexylamino)piperidin-1-yl]pyridine-3-carboxylate

C18H28N4O2 — CID 73295354

IUPACmethyl 5-amino-2-[4-(cyclohexylamino)piperidin-1-yl]pyridine-3-carboxylate
SMILESCOC(=O)c1cc(N)cnc1N1CCC(NC2CCCCC2)CC1
InChIInChI=1S/C18H28N4O2/c1-24-18(23)16-11-13(19)12-20-17(16)22-9-7-15(8-10-22)21-14-5-3-2-4-6-14/h11-12,14-15,21H,2-10,19H2,1H3
InChIKeyYWCUHKBNXJKANE-UHFFFAOYSA-N
MW332.45 g/mol
LogP2.34
Rot. Bonds4

About methyl 5-amino-2-[4-(cyclohexylamino)piperidin-1-yl]pyridine-3-carboxylate

methyl 5-amino-2-[4-(cyclohexylamino)piperidin-1-yl]pyridine-3-carboxylate (PubChem CID 73295354) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is methyl 5-amino-2-[4-(cyclohexylamino)piperidin-1-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-2-[4-(cyclohexylamino)piperidin-1-yl]pyridine-3-carboxylate
PubChem CID73295354
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Namemethyl 5-amino-2-[4-(cyclohexylamino)piperidin-1-yl]pyridine-3-carboxylate
SMILESCOC(=O)c1cc(N)cnc1N1CCC(NC2CCCCC2)CC1
InChIInChI=1S/C18H28N4O2/c1-24-18(23)16-11-13(19)12-20-17(16)22-9-7-15(8-10-22)21-14-5-3-2-4-6-14/h11-12,14-15,21H,2-10,19H2,1H3
InChIKeyYWCUHKBNXJKANE-UHFFFAOYSA-N
XLogP2.34
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-2-[4-(cyclohexylamino)piperidin-1-yl]pyridine-3-carboxylate?
The IUPAC name of methyl 5-amino-2-[4-(cyclohexylamino)piperidin-1-yl]pyridine-3-carboxylate (CID 73295354) is methyl 5-amino-2-[4-(cyclohexylamino)piperidin-1-yl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-amino-2-[4-(cyclohexylamino)piperidin-1-yl]pyridine-3-carboxylate?
The canonical SMILES for methyl 5-amino-2-[4-(cyclohexylamino)piperidin-1-yl]pyridine-3-carboxylate is COC(=O)c1cc(N)cnc1N1CCC(NC2CCCCC2)CC1.
What is the InChIKey of methyl 5-amino-2-[4-(cyclohexylamino)piperidin-1-yl]pyridine-3-carboxylate?
The InChIKey is YWCUHKBNXJKANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-24-18(23)16-11-13(19)12-20-17(16)22-9-7-15(8-10-22)21-14-5-3-2-4-6-14/h11-12,14-15,21H,2-10,19H2,1H3.
What are the key properties of methyl 5-amino-2-[4-(cyclohexylamino)piperidin-1-yl]pyridine-3-carboxylate?
methyl 5-amino-2-[4-(cyclohexylamino)piperidin-1-yl]pyridine-3-carboxylate has a molecular weight of 332.45 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-2-[4-(cyclohexylamino)piperidin-1-yl]pyridine-3-carboxylate is sourced from PubChem (CID 73295354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).