4-(aminomethyl)-N-[1-(6-methoxy-4-phenyl-2-pyridinyl)-2-phenylethyl]cyclohexane-1-carboxamide

C28H33N3O2 — CID 11683709

IUPAC4-(aminomethyl)-N-[1-(6-methoxy-4-phenyl-2-pyridinyl)-2-phenylethyl]cyclohexane-1-carboxamide
SMILESCOc1cc(-c2ccccc2)cc(C(Cc2ccccc2)NC(=O)C2CCC(CN)CC2)n1
InChIInChI=1S/C28H33N3O2/c1-33-27-18-24(22-10-6-3-7-11-22)17-26(30-27)25(16-20-8-4-2-5-9-20)31-28(32)23-14-12-21(19-29)13-15-23/h2-11,17-18,21,23,25H,12-16,19,29H2,1H3,(H,31,32)
InChIKeyFFOGSUWDJVETFB-UHFFFAOYSA-N
MW443.59 g/mol
LogP4.92
Rot. Bonds8

About 4-(aminomethyl)-N-[1-(6-methoxy-4-phenyl-2-pyridinyl)-2-phenylethyl]cyclohexane-1-carboxamide

4-(aminomethyl)-N-[1-(6-methoxy-4-phenyl-2-pyridinyl)-2-phenylethyl]cyclohexane-1-carboxamide (PubChem CID 11683709) has the molecular formula C28H33N3O2 and a molecular weight of 443.59 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[1-(6-methoxy-4-phenyl-2-pyridinyl)-2-phenylethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[1-(6-methoxy-4-phenyl-2-pyridinyl)-2-phenylethyl]cyclohexane-1-carboxamide
PubChem CID11683709
Molecular FormulaC28H33N3O2
Molecular Weight443.59 g/mol
Exact Mass443.26
IUPAC Name4-(aminomethyl)-N-[1-(6-methoxy-4-phenyl-2-pyridinyl)-2-phenylethyl]cyclohexane-1-carboxamide
SMILESCOc1cc(-c2ccccc2)cc(C(Cc2ccccc2)NC(=O)C2CCC(CN)CC2)n1
InChIInChI=1S/C28H33N3O2/c1-33-27-18-24(22-10-6-3-7-11-22)17-26(30-27)25(16-20-8-4-2-5-9-20)31-28(32)23-14-12-21(19-29)13-15-23/h2-11,17-18,21,23,25H,12-16,19,29H2,1H3,(H,31,32)
InChIKeyFFOGSUWDJVETFB-UHFFFAOYSA-N
XLogP4.92
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.59
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[1-(6-methoxy-4-phenyl-2-pyridinyl)-2-phenylethyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-[1-(6-methoxy-4-phenyl-2-pyridinyl)-2-phenylethyl]cyclohexane-1-carboxamide (CID 11683709) is 4-(aminomethyl)-N-[1-(6-methoxy-4-phenyl-2-pyridinyl)-2-phenylethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-[1-(6-methoxy-4-phenyl-2-pyridinyl)-2-phenylethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-[1-(6-methoxy-4-phenyl-2-pyridinyl)-2-phenylethyl]cyclohexane-1-carboxamide is COc1cc(-c2ccccc2)cc(C(Cc2ccccc2)NC(=O)C2CCC(CN)CC2)n1.
What is the InChIKey of 4-(aminomethyl)-N-[1-(6-methoxy-4-phenyl-2-pyridinyl)-2-phenylethyl]cyclohexane-1-carboxamide?
The InChIKey is FFOGSUWDJVETFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O2/c1-33-27-18-24(22-10-6-3-7-11-22)17-26(30-27)25(16-20-8-4-2-5-9-20)31-28(32)23-14-12-21(19-29)13-15-23/h2-11,17-18,21,23,25H,12-16,19,29H2,1H3,(H,31,32).
What are the key properties of 4-(aminomethyl)-N-[1-(6-methoxy-4-phenyl-2-pyridinyl)-2-phenylethyl]cyclohexane-1-carboxamide?
4-(aminomethyl)-N-[1-(6-methoxy-4-phenyl-2-pyridinyl)-2-phenylethyl]cyclohexane-1-carboxamide has a molecular weight of 443.59 g/mol, XLogP of 4.92, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[1-(6-methoxy-4-phenyl-2-pyridinyl)-2-phenylethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 11683709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).