6-acetamido-N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-(cyclopropylmethyl)pyridine-3-carboxamide;hydrochloride

C25H32Cl2N4O2 — CID 71184425

IUPAC6-acetamido-N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-(cyclopropylmethyl)pyridine-3-carboxamide;hydrochloride
SMILESCC(=O)Nc1ccc(C(=O)N(CC2CC2)C2CCC(CN)(c3cccc(Cl)c3)CC2)cn1.Cl
InChIInChI=1S/C25H31ClN4O2.ClH/c1-17(31)29-23-8-7-19(14-28-23)24(32)30(15-18-5-6-18)22-9-11-25(16-27,12-10-22)20-3-2-4-21(26)13-20;/h2-4,7-8,13-14,18,22H,5-6,9-12,15-16,27H2,1H3,(H,28,29,31);1H
InChIKeyKNHGRZZSOXXPHU-UHFFFAOYSA-N
MW491.46 g/mol
LogP4.81
Rot. Bonds7

About 6-acetamido-N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-(cyclopropylmethyl)pyridine-3-carboxamide;hydrochloride

6-acetamido-N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-(cyclopropylmethyl)pyridine-3-carboxamide;hydrochloride (PubChem CID 71184425) has the molecular formula C25H32Cl2N4O2 and a molecular weight of 491.46 g/mol. Its IUPAC name is 6-acetamido-N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-(cyclopropylmethyl)pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name6-acetamido-N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-(cyclopropylmethyl)pyridine-3-carboxamide;hydrochloride
PubChem CID71184425
Molecular FormulaC25H32Cl2N4O2
Molecular Weight491.46 g/mol
Exact Mass490.19
IUPAC Name6-acetamido-N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-(cyclopropylmethyl)pyridine-3-carboxamide;hydrochloride
SMILESCC(=O)Nc1ccc(C(=O)N(CC2CC2)C2CCC(CN)(c3cccc(Cl)c3)CC2)cn1.Cl
InChIInChI=1S/C25H31ClN4O2.ClH/c1-17(31)29-23-8-7-19(14-28-23)24(32)30(15-18-5-6-18)22-9-11-25(16-27,12-10-22)20-3-2-4-21(26)13-20;/h2-4,7-8,13-14,18,22H,5-6,9-12,15-16,27H2,1H3,(H,28,29,31);1H
InChIKeyKNHGRZZSOXXPHU-UHFFFAOYSA-N
XLogP4.81
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.46
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-acetamido-N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-(cyclopropylmethyl)pyridine-3-carboxamide;hydrochloride with MolForge

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Related Compounds

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
N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-[2-(methylamino)-2-oxoethyl]-5-phenylpyridine-3-carboxamide;hydrochloride
CID 71184537
bis(N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-(cyclopropylmethyl)pyridazine-3-carboxamide);bis(N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-(2-phenoxyethyl)pyridazine-3-carboxamide)
CID 157198100
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
bis(N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-benzylacetamide);N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-benzylmethanesulfonamide;bis(N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-(cyclopropylmethyl)acetamide)
CID 157096669
tert-butyl N-[[1-(3-chlorophenyl)-4-[cyclopropylmethyl-(5-phenylpyridine-3-carbonyl)amino]cyclohexyl]methyl]carbamate
CID 70295633
2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-(6-amino-3-pyridinyl)ethanone
CID 158880241
N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-6-methoxypyridine-3-carboxamide
CID 70295338
N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-[(4-methylsulfonylphenyl)methyl]acetamide;hydrochloride
CID 71184573
N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-[2-(3-methylsulfonylphenyl)ethyl]acetamide;hydrochloride
CID 71184598

Frequently Asked Questions

What is the IUPAC name of 6-acetamido-N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-(cyclopropylmethyl)pyridine-3-carboxamide;hydrochloride?
The IUPAC name of 6-acetamido-N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-(cyclopropylmethyl)pyridine-3-carboxamide;hydrochloride (CID 71184425) is 6-acetamido-N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-(cyclopropylmethyl)pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for 6-acetamido-N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-(cyclopropylmethyl)pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for 6-acetamido-N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-(cyclopropylmethyl)pyridine-3-carboxamide;hydrochloride is CC(=O)Nc1ccc(C(=O)N(CC2CC2)C2CCC(CN)(c3cccc(Cl)c3)CC2)cn1.Cl.
What is the InChIKey of 6-acetamido-N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-(cyclopropylmethyl)pyridine-3-carboxamide;hydrochloride?
The InChIKey is KNHGRZZSOXXPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31ClN4O2.ClH/c1-17(31)29-23-8-7-19(14-28-23)24(32)30(15-18-5-6-18)22-9-11-25(16-27,12-10-22)20-3-2-4-21(26)13-20;/h2-4,7-8,13-14,18,22H,5-6,9-12,15-16,27H2,1H3,(H,28,29,31);1H.
What are the key properties of 6-acetamido-N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-(cyclopropylmethyl)pyridine-3-carboxamide;hydrochloride?
6-acetamido-N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-(cyclopropylmethyl)pyridine-3-carboxamide;hydrochloride has a molecular weight of 491.46 g/mol, XLogP of 4.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetamido-N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-(cyclopropylmethyl)pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 71184425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).