4-(aminomethyl)-N-[2-phenyl-1-(4-phenyl-2-pyridinyl)ethyl]cyclohexane-1-carboxamide

C27H31N3O — CID 11604020

IUPAC4-(aminomethyl)-N-[2-phenyl-1-(4-phenyl-2-pyridinyl)ethyl]cyclohexane-1-carboxamide
SMILESNCC1CCC(C(=O)NC(Cc2ccccc2)c2cc(-c3ccccc3)ccn2)CC1
InChIInChI=1S/C27H31N3O/c28-19-21-11-13-23(14-12-21)27(31)30-26(17-20-7-3-1-4-8-20)25-18-24(15-16-29-25)22-9-5-2-6-10-22/h1-10,15-16,18,21,23,26H,11-14,17,19,28H2,(H,30,31)
InChIKeySXSVRFOIMBZCKK-UHFFFAOYSA-N
MW413.56 g/mol
LogP4.91
Rot. Bonds7

About 4-(aminomethyl)-N-[2-phenyl-1-(4-phenyl-2-pyridinyl)ethyl]cyclohexane-1-carboxamide

4-(aminomethyl)-N-[2-phenyl-1-(4-phenyl-2-pyridinyl)ethyl]cyclohexane-1-carboxamide (PubChem CID 11604020) has the molecular formula C27H31N3O and a molecular weight of 413.56 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[2-phenyl-1-(4-phenyl-2-pyridinyl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[2-phenyl-1-(4-phenyl-2-pyridinyl)ethyl]cyclohexane-1-carboxamide
PubChem CID11604020
Molecular FormulaC27H31N3O
Molecular Weight413.56 g/mol
Exact Mass413.25
IUPAC Name4-(aminomethyl)-N-[2-phenyl-1-(4-phenyl-2-pyridinyl)ethyl]cyclohexane-1-carboxamide
SMILESNCC1CCC(C(=O)NC(Cc2ccccc2)c2cc(-c3ccccc3)ccn2)CC1
InChIInChI=1S/C27H31N3O/c28-19-21-11-13-23(14-12-21)27(31)30-26(17-20-7-3-1-4-8-20)25-18-24(15-16-29-25)22-9-5-2-6-10-22/h1-10,15-16,18,21,23,26H,11-14,17,19,28H2,(H,30,31)
InChIKeySXSVRFOIMBZCKK-UHFFFAOYSA-N
XLogP4.91
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.56
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[2-phenyl-1-(4-phenyl-2-pyridinyl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-[2-phenyl-1-(4-phenyl-2-pyridinyl)ethyl]cyclohexane-1-carboxamide (CID 11604020) is 4-(aminomethyl)-N-[2-phenyl-1-(4-phenyl-2-pyridinyl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-[2-phenyl-1-(4-phenyl-2-pyridinyl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-[2-phenyl-1-(4-phenyl-2-pyridinyl)ethyl]cyclohexane-1-carboxamide is NCC1CCC(C(=O)NC(Cc2ccccc2)c2cc(-c3ccccc3)ccn2)CC1.
What is the InChIKey of 4-(aminomethyl)-N-[2-phenyl-1-(4-phenyl-2-pyridinyl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is SXSVRFOIMBZCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O/c28-19-21-11-13-23(14-12-21)27(31)30-26(17-20-7-3-1-4-8-20)25-18-24(15-16-29-25)22-9-5-2-6-10-22/h1-10,15-16,18,21,23,26H,11-14,17,19,28H2,(H,30,31).
What are the key properties of 4-(aminomethyl)-N-[2-phenyl-1-(4-phenyl-2-pyridinyl)ethyl]cyclohexane-1-carboxamide?
4-(aminomethyl)-N-[2-phenyl-1-(4-phenyl-2-pyridinyl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 413.56 g/mol, XLogP of 4.91, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[2-phenyl-1-(4-phenyl-2-pyridinyl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 11604020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).