2-[(2S)-2-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]morpholin-4-yl]-N-cyclohexyl-N-methylacetamide

C24H33N5O2 — CID 125015003

IUPAC2-[(2S)-2-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]morpholin-4-yl]-N-cyclohexyl-N-methylacetamide
SMILESCc1cc(-c2ccc(N)nc2)cc([C@@H]2CN(CC(=O)N(C)C3CCCCC3)CCO2)n1
InChIInChI=1S/C24H33N5O2/c1-17-12-19(18-8-9-23(25)26-14-18)13-21(27-17)22-15-29(10-11-31-22)16-24(30)28(2)20-6-4-3-5-7-20/h8-9,12-14,20,22H,3-7,10-11,15-16H2,1-2H3,(H2,25,26)/t22-/m0/s1
InChIKeyWQKDQSAZNGJKNT-QFIPXVFZSA-N
MW423.56 g/mol
LogP3.20
Rot. Bonds5

About 2-[(2S)-2-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]morpholin-4-yl]-N-cyclohexyl-N-methylacetamide

2-[(2S)-2-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]morpholin-4-yl]-N-cyclohexyl-N-methylacetamide (PubChem CID 125015003) has the molecular formula C24H33N5O2 and a molecular weight of 423.56 g/mol. Its IUPAC name is 2-[(2S)-2-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]morpholin-4-yl]-N-cyclohexyl-N-methylacetamide.

Molecular Properties

Compound Name2-[(2S)-2-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]morpholin-4-yl]-N-cyclohexyl-N-methylacetamide
PubChem CID125015003
Molecular FormulaC24H33N5O2
Molecular Weight423.56 g/mol
Exact Mass423.26
IUPAC Name2-[(2S)-2-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]morpholin-4-yl]-N-cyclohexyl-N-methylacetamide
SMILESCc1cc(-c2ccc(N)nc2)cc([C@@H]2CN(CC(=O)N(C)C3CCCCC3)CCO2)n1
InChIInChI=1S/C24H33N5O2/c1-17-12-19(18-8-9-23(25)26-14-18)13-21(27-17)22-15-29(10-11-31-22)16-24(30)28(2)20-6-4-3-5-7-20/h8-9,12-14,20,22H,3-7,10-11,15-16H2,1-2H3,(H2,25,26)/t22-/m0/s1
InChIKeyWQKDQSAZNGJKNT-QFIPXVFZSA-N
XLogP3.20
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(2S)-2-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]morpholin-4-yl]-N-cyclohexyl-N-methylacetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]morpholin-4-yl]-N-cyclohexyl-N-methylacetamide?
The IUPAC name of 2-[(2S)-2-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]morpholin-4-yl]-N-cyclohexyl-N-methylacetamide (CID 125015003) is 2-[(2S)-2-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]morpholin-4-yl]-N-cyclohexyl-N-methylacetamide.
What is the SMILES notation for 2-[(2S)-2-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]morpholin-4-yl]-N-cyclohexyl-N-methylacetamide?
The canonical SMILES for 2-[(2S)-2-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]morpholin-4-yl]-N-cyclohexyl-N-methylacetamide is Cc1cc(-c2ccc(N)nc2)cc([C@@H]2CN(CC(=O)N(C)C3CCCCC3)CCO2)n1.
What is the InChIKey of 2-[(2S)-2-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]morpholin-4-yl]-N-cyclohexyl-N-methylacetamide?
The InChIKey is WQKDQSAZNGJKNT-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H33N5O2/c1-17-12-19(18-8-9-23(25)26-14-18)13-21(27-17)22-15-29(10-11-31-22)16-24(30)28(2)20-6-4-3-5-7-20/h8-9,12-14,20,22H,3-7,10-11,15-16H2,1-2H3,(H2,25,26)/t22-/m0/s1.
What are the key properties of 2-[(2S)-2-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]morpholin-4-yl]-N-cyclohexyl-N-methylacetamide?
2-[(2S)-2-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]morpholin-4-yl]-N-cyclohexyl-N-methylacetamide has a molecular weight of 423.56 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]morpholin-4-yl]-N-cyclohexyl-N-methylacetamide is sourced from PubChem (CID 125015003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).