N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-[2-(methylamino)-2-oxoethyl]-5-phenylpyridine-3-carboxamide;hydrochloride

C28H32Cl2N4O2 — CID 71184537

IUPACN-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-[2-(methylamino)-2-oxoethyl]-5-phenylpyridine-3-carboxamide;hydrochloride
SMILESCNC(=O)CN(C(=O)c1cncc(-c2ccccc2)c1)C1CCC(CN)(c2cccc(Cl)c2)CC1.Cl
InChIInChI=1S/C28H31ClN4O2.ClH/c1-31-26(34)18-33(27(35)22-14-21(16-32-17-22)20-6-3-2-4-7-20)25-10-12-28(19-30,13-11-25)23-8-5-9-24(29)15-23;/h2-9,14-17,25H,10-13,18-19,30H2,1H3,(H,31,34);1H
InChIKeyIEYRXEVMJUHZCU-UHFFFAOYSA-N
MW527.50 g/mol
LogP4.85
Rot. Bonds7

About N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-[2-(methylamino)-2-oxoethyl]-5-phenylpyridine-3-carboxamide;hydrochloride

N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-[2-(methylamino)-2-oxoethyl]-5-phenylpyridine-3-carboxamide;hydrochloride (PubChem CID 71184537) has the molecular formula C28H32Cl2N4O2 and a molecular weight of 527.50 g/mol. Its IUPAC name is N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-[2-(methylamino)-2-oxoethyl]-5-phenylpyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-[2-(methylamino)-2-oxoethyl]-5-phenylpyridine-3-carboxamide;hydrochloride
PubChem CID71184537
Molecular FormulaC28H32Cl2N4O2
Molecular Weight527.50 g/mol
Exact Mass526.19
IUPAC NameN-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-[2-(methylamino)-2-oxoethyl]-5-phenylpyridine-3-carboxamide;hydrochloride
SMILESCNC(=O)CN(C(=O)c1cncc(-c2ccccc2)c1)C1CCC(CN)(c2cccc(Cl)c2)CC1.Cl
InChIInChI=1S/C28H31ClN4O2.ClH/c1-31-26(34)18-33(27(35)22-14-21(16-32-17-22)20-6-3-2-4-7-20)25-10-12-28(19-30,13-11-25)23-8-5-9-24(29)15-23;/h2-9,14-17,25H,10-13,18-19,30H2,1H3,(H,31,34);1H
InChIKeyIEYRXEVMJUHZCU-UHFFFAOYSA-N
XLogP4.85
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.50
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-[2-(methylamino)-2-oxoethyl]-5-phenylpyridine-3-carboxamide;hydrochloride with MolForge

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Related Compounds

tert-butyl N-[[1-(3-chlorophenyl)-4-[cyclopropylmethyl-(5-phenylpyridine-3-carbonyl)amino]cyclohexyl]methyl]carbamate
CID 70295633
6-acetamido-N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-(2-oxobutyl)pyridine-3-carboxamide
CID 158168533
N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-(2-phenylethyl)acetamide;hydrochloride
CID 71184328
6-acetamido-N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-(cyclopropylmethyl)pyridine-3-carboxamide;hydrochloride
CID 71184425
N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-(1H-imidazol-5-ylmethyl)pyridine-3-carboxamide
CID 71184625
N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-[2-(3-methylsulfinylphenyl)ethyl]pyridine-3-carboxamide
CID 143705788
N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]pyridine-4-carboxamide;hydrochloride
CID 71184788
1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]cyclopropane-1-carboxamide;hydrochloride
CID 71184478
2-[cyclopropyl-[5-(3-methylphenyl)pyridine-3-carbonyl]amino]acetic acid
CID 120517497
N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-(2-methoxyethyl)pyridazine-3-carboxamide
CID 70297802
N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-[(4-methylsulfonylphenyl)methyl]acetamide;hydrochloride
CID 71184573
4-(aminomethyl)-4-(3-chlorophenyl)cyclohexan-1-amine
CID 69039976

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-[2-(methylamino)-2-oxoethyl]-5-phenylpyridine-3-carboxamide;hydrochloride?
The IUPAC name of N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-[2-(methylamino)-2-oxoethyl]-5-phenylpyridine-3-carboxamide;hydrochloride (CID 71184537) is N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-[2-(methylamino)-2-oxoethyl]-5-phenylpyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-[2-(methylamino)-2-oxoethyl]-5-phenylpyridine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-[2-(methylamino)-2-oxoethyl]-5-phenylpyridine-3-carboxamide;hydrochloride is CNC(=O)CN(C(=O)c1cncc(-c2ccccc2)c1)C1CCC(CN)(c2cccc(Cl)c2)CC1.Cl.
What is the InChIKey of N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-[2-(methylamino)-2-oxoethyl]-5-phenylpyridine-3-carboxamide;hydrochloride?
The InChIKey is IEYRXEVMJUHZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31ClN4O2.ClH/c1-31-26(34)18-33(27(35)22-14-21(16-32-17-22)20-6-3-2-4-7-20)25-10-12-28(19-30,13-11-25)23-8-5-9-24(29)15-23;/h2-9,14-17,25H,10-13,18-19,30H2,1H3,(H,31,34);1H.
What are the key properties of N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-[2-(methylamino)-2-oxoethyl]-5-phenylpyridine-3-carboxamide;hydrochloride?
N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-[2-(methylamino)-2-oxoethyl]-5-phenylpyridine-3-carboxamide;hydrochloride has a molecular weight of 527.50 g/mol, XLogP of 4.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-[2-(methylamino)-2-oxoethyl]-5-phenylpyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 71184537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).