(6-amino-3-pyridinyl)-[2-[5-[(2-chlorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]methanone

C22H21ClN4O2 — CID 127250252

IUPAC(6-amino-3-pyridinyl)-[2-[5-[(2-chlorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]methanone
SMILESNc1ccc(C(=O)N2CCOC(c3ccc(Cc4ccccc4Cl)cn3)C2)cn1
InChIInChI=1S/C22H21ClN4O2/c23-18-4-2-1-3-16(18)11-15-5-7-19(25-12-15)20-14-27(9-10-29-20)22(28)17-6-8-21(24)26-13-17/h1-8,12-13,20H,9-11,14H2,(H2,24,26)
InChIKeyADMJHSXPFSRQAW-UHFFFAOYSA-N
MW408.89 g/mol
LogP3.52
Rot. Bonds4

About (6-amino-3-pyridinyl)-[2-[5-[(2-chlorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]methanone

(6-amino-3-pyridinyl)-[2-[5-[(2-chlorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]methanone (PubChem CID 127250252) has the molecular formula C22H21ClN4O2 and a molecular weight of 408.89 g/mol. Its IUPAC name is (6-amino-3-pyridinyl)-[2-[5-[(2-chlorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name(6-amino-3-pyridinyl)-[2-[5-[(2-chlorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]methanone
PubChem CID127250252
Molecular FormulaC22H21ClN4O2
Molecular Weight408.89 g/mol
Exact Mass408.14
IUPAC Name(6-amino-3-pyridinyl)-[2-[5-[(2-chlorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]methanone
SMILESNc1ccc(C(=O)N2CCOC(c3ccc(Cc4ccccc4Cl)cn3)C2)cn1
InChIInChI=1S/C22H21ClN4O2/c23-18-4-2-1-3-16(18)11-15-5-7-19(25-12-15)20-14-27(9-10-29-20)22(28)17-6-8-21(24)26-13-17/h1-8,12-13,20H,9-11,14H2,(H2,24,26)
InChIKeyADMJHSXPFSRQAW-UHFFFAOYSA-N
XLogP3.52
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.89
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (6-amino-3-pyridinyl)-[2-[5-[(2-chlorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]methanone 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

6-[(2S)-4-(4-chlorobenzoyl)morpholin-2-yl]pyridine-3-carboxamide
CID 95847945
[4-(aminomethyl)phenyl]-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]methanone
CID 124700398
(6-amino-3-pyridinyl)-[(2R)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]methanone
CID 125004502
2-(4-fluorophenyl)-1-[2-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]ethanone
CID 127250154
5-[2-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]morpholine-4-carbonyl]-1-methylpyridin-2-one
CID 127250237
(2-pyridin-2-ylmorpholin-4-yl)-pyrimidin-5-ylmethanone
CID 110270857
(6-fluoro-3-pyridinyl)-(2-phenylmorpholin-4-yl)methanone
CID 63979909
pyridin-4-yl-(2-pyridin-2-ylmorpholin-4-yl)methanone
CID 110270765
(4-fluorophenyl)-[(2R)-2-pyridin-2-ylmorpholin-4-yl]methanone
CID 95844813
[(2S)-2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 125007104
[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-(2-methylpyrimidin-5-yl)methanone
CID 95228845
N-[2-[2-[3-[(2S)-4-(6-aminopyridine-3-carbonyl)morpholin-2-yl]-1H-pyrazol-5-yl]ethoxy]-5-chlorophenyl]-2-(methylamino)acetamide
CID 125022299

Frequently Asked Questions

What is the IUPAC name of (6-amino-3-pyridinyl)-[2-[5-[(2-chlorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]methanone?
The IUPAC name of (6-amino-3-pyridinyl)-[2-[5-[(2-chlorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]methanone (CID 127250252) is (6-amino-3-pyridinyl)-[2-[5-[(2-chlorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]methanone.
What is the SMILES notation for (6-amino-3-pyridinyl)-[2-[5-[(2-chlorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]methanone?
The canonical SMILES for (6-amino-3-pyridinyl)-[2-[5-[(2-chlorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]methanone is Nc1ccc(C(=O)N2CCOC(c3ccc(Cc4ccccc4Cl)cn3)C2)cn1.
What is the InChIKey of (6-amino-3-pyridinyl)-[2-[5-[(2-chlorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]methanone?
The InChIKey is ADMJHSXPFSRQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O2/c23-18-4-2-1-3-16(18)11-15-5-7-19(25-12-15)20-14-27(9-10-29-20)22(28)17-6-8-21(24)26-13-17/h1-8,12-13,20H,9-11,14H2,(H2,24,26).
What are the key properties of (6-amino-3-pyridinyl)-[2-[5-[(2-chlorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]methanone?
(6-amino-3-pyridinyl)-[2-[5-[(2-chlorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]methanone has a molecular weight of 408.89 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-3-pyridinyl)-[2-[5-[(2-chlorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]methanone is sourced from PubChem (CID 127250252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).