4-(aminomethyl)-N-[1-[4-(4-aminophenyl)-2-pyridinyl]-2-phenylethyl]cyclohexane-1-carboxamide

C27H32N4O — CID 11575536

IUPAC4-(aminomethyl)-N-[1-[4-(4-aminophenyl)-2-pyridinyl]-2-phenylethyl]cyclohexane-1-carboxamide
SMILESNCC1CCC(C(=O)NC(Cc2ccccc2)c2cc(-c3ccc(N)cc3)ccn2)CC1
InChIInChI=1S/C27H32N4O/c28-18-20-6-8-22(9-7-20)27(32)31-26(16-19-4-2-1-3-5-19)25-17-23(14-15-30-25)21-10-12-24(29)13-11-21/h1-5,10-15,17,20,22,26H,6-9,16,18,28-29H2,(H,31,32)
InChIKeyONUKKSGYYNTYEV-UHFFFAOYSA-N
MW428.58 g/mol
LogP4.50
Rot. Bonds7

About 4-(aminomethyl)-N-[1-[4-(4-aminophenyl)-2-pyridinyl]-2-phenylethyl]cyclohexane-1-carboxamide

4-(aminomethyl)-N-[1-[4-(4-aminophenyl)-2-pyridinyl]-2-phenylethyl]cyclohexane-1-carboxamide (PubChem CID 11575536) has the molecular formula C27H32N4O and a molecular weight of 428.58 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[1-[4-(4-aminophenyl)-2-pyridinyl]-2-phenylethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[1-[4-(4-aminophenyl)-2-pyridinyl]-2-phenylethyl]cyclohexane-1-carboxamide
PubChem CID11575536
Molecular FormulaC27H32N4O
Molecular Weight428.58 g/mol
Exact Mass428.26
IUPAC Name4-(aminomethyl)-N-[1-[4-(4-aminophenyl)-2-pyridinyl]-2-phenylethyl]cyclohexane-1-carboxamide
SMILESNCC1CCC(C(=O)NC(Cc2ccccc2)c2cc(-c3ccc(N)cc3)ccn2)CC1
InChIInChI=1S/C27H32N4O/c28-18-20-6-8-22(9-7-20)27(32)31-26(16-19-4-2-1-3-5-19)25-17-23(14-15-30-25)21-10-12-24(29)13-11-21/h1-5,10-15,17,20,22,26H,6-9,16,18,28-29H2,(H,31,32)
InChIKeyONUKKSGYYNTYEV-UHFFFAOYSA-N
XLogP4.50
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.58
LogP ≤ 54.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[1-[4-(4-aminophenyl)-2-pyridinyl]-2-phenylethyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-[1-[4-(4-aminophenyl)-2-pyridinyl]-2-phenylethyl]cyclohexane-1-carboxamide (CID 11575536) is 4-(aminomethyl)-N-[1-[4-(4-aminophenyl)-2-pyridinyl]-2-phenylethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-[1-[4-(4-aminophenyl)-2-pyridinyl]-2-phenylethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-[1-[4-(4-aminophenyl)-2-pyridinyl]-2-phenylethyl]cyclohexane-1-carboxamide is NCC1CCC(C(=O)NC(Cc2ccccc2)c2cc(-c3ccc(N)cc3)ccn2)CC1.
What is the InChIKey of 4-(aminomethyl)-N-[1-[4-(4-aminophenyl)-2-pyridinyl]-2-phenylethyl]cyclohexane-1-carboxamide?
The InChIKey is ONUKKSGYYNTYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O/c28-18-20-6-8-22(9-7-20)27(32)31-26(16-19-4-2-1-3-5-19)25-17-23(14-15-30-25)21-10-12-24(29)13-11-21/h1-5,10-15,17,20,22,26H,6-9,16,18,28-29H2,(H,31,32).
What are the key properties of 4-(aminomethyl)-N-[1-[4-(4-aminophenyl)-2-pyridinyl]-2-phenylethyl]cyclohexane-1-carboxamide?
4-(aminomethyl)-N-[1-[4-(4-aminophenyl)-2-pyridinyl]-2-phenylethyl]cyclohexane-1-carboxamide has a molecular weight of 428.58 g/mol, XLogP of 4.50, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[1-[4-(4-aminophenyl)-2-pyridinyl]-2-phenylethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 11575536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).