N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-(1H-imidazol-5-ylmethyl)pyridine-3-carboxamide

C23H26ClN5O — CID 71184625

IUPACN-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-(1H-imidazol-5-ylmethyl)pyridine-3-carboxamide
SMILESNCC1(c2cccc(Cl)c2)CCC(N(Cc2cnc[nH]2)C(=O)c2cccnc2)CC1
InChIInChI=1S/C23H26ClN5O/c24-19-5-1-4-18(11-19)23(15-25)8-6-21(7-9-23)29(14-20-13-27-16-28-20)22(30)17-3-2-10-26-12-17/h1-5,10-13,16,21H,6-9,14-15,25H2,(H,27,28)
InChIKeyZQVXGWUNMKONPP-UHFFFAOYSA-N
MW423.95 g/mol
LogP3.94
Rot. Bonds6

About N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-(1H-imidazol-5-ylmethyl)pyridine-3-carboxamide

N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-(1H-imidazol-5-ylmethyl)pyridine-3-carboxamide (PubChem CID 71184625) has the molecular formula C23H26ClN5O and a molecular weight of 423.95 g/mol. Its IUPAC name is N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-(1H-imidazol-5-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-(1H-imidazol-5-ylmethyl)pyridine-3-carboxamide
PubChem CID71184625
Molecular FormulaC23H26ClN5O
Molecular Weight423.95 g/mol
Exact Mass423.18
IUPAC NameN-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-(1H-imidazol-5-ylmethyl)pyridine-3-carboxamide
SMILESNCC1(c2cccc(Cl)c2)CCC(N(Cc2cnc[nH]2)C(=O)c2cccnc2)CC1
InChIInChI=1S/C23H26ClN5O/c24-19-5-1-4-18(11-19)23(15-25)8-6-21(7-9-23)29(14-20-13-27-16-28-20)22(30)17-3-2-10-26-12-17/h1-5,10-13,16,21H,6-9,14-15,25H2,(H,27,28)
InChIKeyZQVXGWUNMKONPP-UHFFFAOYSA-N
XLogP3.94
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.95
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-(1H-imidazol-5-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-(1H-imidazol-5-ylmethyl)pyridine-3-carboxamide (CID 71184625) is N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-(1H-imidazol-5-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-(1H-imidazol-5-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-(1H-imidazol-5-ylmethyl)pyridine-3-carboxamide is NCC1(c2cccc(Cl)c2)CCC(N(Cc2cnc[nH]2)C(=O)c2cccnc2)CC1.
What is the InChIKey of N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-(1H-imidazol-5-ylmethyl)pyridine-3-carboxamide?
The InChIKey is ZQVXGWUNMKONPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN5O/c24-19-5-1-4-18(11-19)23(15-25)8-6-21(7-9-23)29(14-20-13-27-16-28-20)22(30)17-3-2-10-26-12-17/h1-5,10-13,16,21H,6-9,14-15,25H2,(H,27,28).
What are the key properties of N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-(1H-imidazol-5-ylmethyl)pyridine-3-carboxamide?
N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-(1H-imidazol-5-ylmethyl)pyridine-3-carboxamide has a molecular weight of 423.95 g/mol, XLogP of 3.94, 6 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-(1H-imidazol-5-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 71184625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).