N-[[4-(aminomethyl)cyclohexyl]-pyridin-2-ylmethyl]-2,4-dimethoxybenzamide

C22H29N3O3 — CID 110242008

IUPACN-[[4-(aminomethyl)cyclohexyl]-pyridin-2-ylmethyl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NC(c2ccccn2)C2CCC(CN)CC2)c(OC)c1
InChIInChI=1S/C22H29N3O3/c1-27-17-10-11-18(20(13-17)28-2)22(26)25-21(19-5-3-4-12-24-19)16-8-6-15(14-23)7-9-16/h3-5,10-13,15-16,21H,6-9,14,23H2,1-2H3,(H,25,26)
InChIKeyLIJGWGMRZLWCGF-UHFFFAOYSA-N
MW383.49 g/mol
LogP3.34
Rot. Bonds7

About N-[[4-(aminomethyl)cyclohexyl]-pyridin-2-ylmethyl]-2,4-dimethoxybenzamide

N-[[4-(aminomethyl)cyclohexyl]-pyridin-2-ylmethyl]-2,4-dimethoxybenzamide (PubChem CID 110242008) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is N-[[4-(aminomethyl)cyclohexyl]-pyridin-2-ylmethyl]-2,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[[4-(aminomethyl)cyclohexyl]-pyridin-2-ylmethyl]-2,4-dimethoxybenzamide
PubChem CID110242008
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC NameN-[[4-(aminomethyl)cyclohexyl]-pyridin-2-ylmethyl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NC(c2ccccn2)C2CCC(CN)CC2)c(OC)c1
InChIInChI=1S/C22H29N3O3/c1-27-17-10-11-18(20(13-17)28-2)22(26)25-21(19-5-3-4-12-24-19)16-8-6-15(14-23)7-9-16/h3-5,10-13,15-16,21H,6-9,14,23H2,1-2H3,(H,25,26)
InChIKeyLIJGWGMRZLWCGF-UHFFFAOYSA-N
XLogP3.34
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)cyclohexyl]-pyridin-2-ylmethyl]-2,4-dimethoxybenzamide?
The IUPAC name of N-[[4-(aminomethyl)cyclohexyl]-pyridin-2-ylmethyl]-2,4-dimethoxybenzamide (CID 110242008) is N-[[4-(aminomethyl)cyclohexyl]-pyridin-2-ylmethyl]-2,4-dimethoxybenzamide.
What is the SMILES notation for N-[[4-(aminomethyl)cyclohexyl]-pyridin-2-ylmethyl]-2,4-dimethoxybenzamide?
The canonical SMILES for N-[[4-(aminomethyl)cyclohexyl]-pyridin-2-ylmethyl]-2,4-dimethoxybenzamide is COc1ccc(C(=O)NC(c2ccccn2)C2CCC(CN)CC2)c(OC)c1.
What is the InChIKey of N-[[4-(aminomethyl)cyclohexyl]-pyridin-2-ylmethyl]-2,4-dimethoxybenzamide?
The InChIKey is LIJGWGMRZLWCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-27-17-10-11-18(20(13-17)28-2)22(26)25-21(19-5-3-4-12-24-19)16-8-6-15(14-23)7-9-16/h3-5,10-13,15-16,21H,6-9,14,23H2,1-2H3,(H,25,26).
What are the key properties of N-[[4-(aminomethyl)cyclohexyl]-pyridin-2-ylmethyl]-2,4-dimethoxybenzamide?
N-[[4-(aminomethyl)cyclohexyl]-pyridin-2-ylmethyl]-2,4-dimethoxybenzamide has a molecular weight of 383.49 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)cyclohexyl]-pyridin-2-ylmethyl]-2,4-dimethoxybenzamide is sourced from PubChem (CID 110242008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).