N-[(S)-[4-(aminomethyl)cyclohexyl]-pyridin-2-ylmethyl]-2,5-dimethoxybenzamide

C22H29N3O3 — CID 98135938

IUPACN-[(S)-[4-(aminomethyl)cyclohexyl]-pyridin-2-ylmethyl]-2,5-dimethoxybenzamide
SMILESCOc1ccc(OC)c(C(=O)N[C@H](c2ccccn2)C2CCC(CN)CC2)c1
InChIInChI=1S/C22H29N3O3/c1-27-17-10-11-20(28-2)18(13-17)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)/t15?,16?,21-/m0/s1
InChIKeyKODOASSLDODLLS-BUNACBEFSA-N
MW383.49 g/mol
LogP3.34
Rot. Bonds7

About N-[(S)-[4-(aminomethyl)cyclohexyl]-pyridin-2-ylmethyl]-2,5-dimethoxybenzamide

N-[(S)-[4-(aminomethyl)cyclohexyl]-pyridin-2-ylmethyl]-2,5-dimethoxybenzamide (PubChem CID 98135938) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is N-[(S)-[4-(aminomethyl)cyclohexyl]-pyridin-2-ylmethyl]-2,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(S)-[4-(aminomethyl)cyclohexyl]-pyridin-2-ylmethyl]-2,5-dimethoxybenzamide
PubChem CID98135938
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC NameN-[(S)-[4-(aminomethyl)cyclohexyl]-pyridin-2-ylmethyl]-2,5-dimethoxybenzamide
SMILESCOc1ccc(OC)c(C(=O)N[C@H](c2ccccn2)C2CCC(CN)CC2)c1
InChIInChI=1S/C22H29N3O3/c1-27-17-10-11-20(28-2)18(13-17)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)/t15?,16?,21-/m0/s1
InChIKeyKODOASSLDODLLS-BUNACBEFSA-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

Analyze N-[(S)-[4-(aminomethyl)cyclohexyl]-pyridin-2-ylmethyl]-2,5-dimethoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-(aminomethyl)cyclohexyl]-pyridin-2-ylmethyl]-2,4-dimethoxybenzamide
CID 110242008
N-[[4-[(S)-acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-methoxybenzamide
CID 98135958
N-[(R)-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide
CID 92551996
2-cyclopropyloxy-N-[cyclopropyl(pyridin-2-yl)methyl]benzamide
CID 138051363
(2R)-N-[(R)-cyclopentyl(pyridin-2-yl)methyl]-2-hydroxy-2-(3-methoxyphenyl)acetamide
CID 97330118
N-[(R)-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2-methylbenzamide
CID 92561853
N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2,3-dimethoxybenzamide
CID 91789954
N-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]thiophene-2-carboxamide
CID 110228619
N-[[4-[(S)-acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-aminopyridine-3-carboxamide
CID 98136032
N'-(2,5-dimethoxybenzoyl)pyridine-2-carbohydrazide
CID 8573468
N-[(R)-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]pyridine-2-carboxamide
CID 95857787
2,4-dimethoxy-N-[phenyl(pyridin-2-yl)methyl]benzamide
CID 44765343

Frequently Asked Questions

What is the IUPAC name of N-[(S)-[4-(aminomethyl)cyclohexyl]-pyridin-2-ylmethyl]-2,5-dimethoxybenzamide?
The IUPAC name of N-[(S)-[4-(aminomethyl)cyclohexyl]-pyridin-2-ylmethyl]-2,5-dimethoxybenzamide (CID 98135938) is N-[(S)-[4-(aminomethyl)cyclohexyl]-pyridin-2-ylmethyl]-2,5-dimethoxybenzamide.
What is the SMILES notation for N-[(S)-[4-(aminomethyl)cyclohexyl]-pyridin-2-ylmethyl]-2,5-dimethoxybenzamide?
The canonical SMILES for N-[(S)-[4-(aminomethyl)cyclohexyl]-pyridin-2-ylmethyl]-2,5-dimethoxybenzamide is COc1ccc(OC)c(C(=O)N[C@H](c2ccccn2)C2CCC(CN)CC2)c1.
What is the InChIKey of N-[(S)-[4-(aminomethyl)cyclohexyl]-pyridin-2-ylmethyl]-2,5-dimethoxybenzamide?
The InChIKey is KODOASSLDODLLS-BUNACBEFSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-27-17-10-11-20(28-2)18(13-17)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)/t15?,16?,21-/m0/s1.
What are the key properties of N-[(S)-[4-(aminomethyl)cyclohexyl]-pyridin-2-ylmethyl]-2,5-dimethoxybenzamide?
N-[(S)-[4-(aminomethyl)cyclohexyl]-pyridin-2-ylmethyl]-2,5-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-[(S)-[4-(aminomethyl)cyclohexyl]-pyridin-2-ylmethyl]-2,5-dimethoxybenzamide is sourced from PubChem (CID 98135938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).