N-[5-chloro-4-[(2S)-1-methoxypropan-2-yl]oxy-2-pyridinyl]-2-[6-(1-cyano-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]acetamide

C22H24ClN5O3 — CID 170715500

IUPACN-[5-chloro-4-[(2S)-1-methoxypropan-2-yl]oxy-2-pyridinyl]-2-[6-(1-cyano-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]acetamide
SMILESCOC[C@H](C)Oc1cc(NC(=O)Cc2ccc(C3=CCN(C#N)CC3)nc2)ncc1Cl
InChIInChI=1S/C22H24ClN5O3/c1-15(13-30-2)31-20-10-21(26-12-18(20)23)27-22(29)9-16-3-4-19(25-11-16)17-5-7-28(14-24)8-6-17/h3-5,10-12,15H,6-9,13H2,1-2H3,(H,26,27,29)/t15-/m0/s1
InChIKeyRWSSKNSHRBSDEH-HNNXBMFYSA-N
MW441.92 g/mol
LogP3.30
Rot. Bonds8

About N-[5-chloro-4-[(2S)-1-methoxypropan-2-yl]oxy-2-pyridinyl]-2-[6-(1-cyano-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]acetamide

N-[5-chloro-4-[(2S)-1-methoxypropan-2-yl]oxy-2-pyridinyl]-2-[6-(1-cyano-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]acetamide (PubChem CID 170715500) has the molecular formula C22H24ClN5O3 and a molecular weight of 441.92 g/mol. Its IUPAC name is N-[5-chloro-4-[(2S)-1-methoxypropan-2-yl]oxy-2-pyridinyl]-2-[6-(1-cyano-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-chloro-4-[(2S)-1-methoxypropan-2-yl]oxy-2-pyridinyl]-2-[6-(1-cyano-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]acetamide
PubChem CID170715500
Molecular FormulaC22H24ClN5O3
Molecular Weight441.92 g/mol
Exact Mass441.16
IUPAC NameN-[5-chloro-4-[(2S)-1-methoxypropan-2-yl]oxy-2-pyridinyl]-2-[6-(1-cyano-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]acetamide
SMILESCOC[C@H](C)Oc1cc(NC(=O)Cc2ccc(C3=CCN(C#N)CC3)nc2)ncc1Cl
InChIInChI=1S/C22H24ClN5O3/c1-15(13-30-2)31-20-10-21(26-12-18(20)23)27-22(29)9-16-3-4-19(25-11-16)17-5-7-28(14-24)8-6-17/h3-5,10-12,15H,6-9,13H2,1-2H3,(H,26,27,29)/t15-/m0/s1
InChIKeyRWSSKNSHRBSDEH-HNNXBMFYSA-N
XLogP3.30
TPSA100.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.92
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

Analyze N-[5-chloro-4-[(2S)-1-methoxypropan-2-yl]oxy-2-pyridinyl]-2-[6-(1-cyano-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]acetamide 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-[[(2R)-1-[6-[(5-chloro-4-methoxy-2-pyridinyl)amino]-3-methylpyridine-2-carbonyl]-5,5-difluoropiperidin-2-yl]methyl]acetamide
CID 162721743
N-[[1-[6-[(5-chloro-4-methoxy-2-pyridinyl)amino]-3-methylpyridine-2-carbonyl]-5,5-difluoropiperidin-2-yl]methyl]acetamide
CID 169036150
tert-butyl 5-[4-[2-[(5-chloro-4-methoxy-2-pyridinyl)amino]-2-oxoethyl]-3-fluorophenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 170715458
N-(5-chloro-4-methoxy-2-pyridinyl)-2-[4-(1-cyano-3,6-dihydro-2H-pyridin-5-yl)-2-fluorophenyl]acetamide
CID 170715516
N-(5-chloro-4-methoxy-2-pyridinyl)-2-[6-(4-cyano-3-fluorophenyl)-3-pyridinyl]acetamide
CID 170715587
N-(5-chloro-4-methoxy-2-pyridinyl)-2-[6-[6-cyano-4-(3-fluoro-1-methylpiperidin-4-yl)oxy-2-pyridinyl]-3-pyridinyl]acetamide
CID 170715602
N-(5-chloro-4-methoxy-2-pyridinyl)-2-[4-(6-cyano-2-pyridinyl)-3-fluorophenyl]acetamide
CID 170715736
N-[5-chloro-4-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]-2-[6-(1-cyanopiperidin-4-yl)-3-pyridinyl]acetamide
CID 170715420
N-[5-chloro-4-[(2-methyl-2-azaspiro[3.3]heptan-6-yl)oxy]-2-pyridinyl]-2-[6-(1-cyano-3,6-dihydro-2H-pyridin-5-yl)-3-pyridinyl]acetamide
CID 170715422
tert-butyl 4-[5-[2-[(5-chloro-4-cyclobutyloxy-2-pyridinyl)amino]-2-oxoethyl]-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 170715425
N-(5-chloro-4-methoxy-2-pyridinyl)-2-(6-chloro-3-pyridinyl)-2-methylpropanamide
CID 170715426
N-[5-chloro-4-(oxetan-3-yloxy)-2-pyridinyl]-2-[6-(1-cyano-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]acetamide
CID 170715428

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-4-[(2S)-1-methoxypropan-2-yl]oxy-2-pyridinyl]-2-[6-(1-cyano-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]acetamide?
The IUPAC name of N-[5-chloro-4-[(2S)-1-methoxypropan-2-yl]oxy-2-pyridinyl]-2-[6-(1-cyano-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]acetamide (CID 170715500) is N-[5-chloro-4-[(2S)-1-methoxypropan-2-yl]oxy-2-pyridinyl]-2-[6-(1-cyano-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]acetamide.
What is the SMILES notation for N-[5-chloro-4-[(2S)-1-methoxypropan-2-yl]oxy-2-pyridinyl]-2-[6-(1-cyano-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]acetamide?
The canonical SMILES for N-[5-chloro-4-[(2S)-1-methoxypropan-2-yl]oxy-2-pyridinyl]-2-[6-(1-cyano-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]acetamide is COC[C@H](C)Oc1cc(NC(=O)Cc2ccc(C3=CCN(C#N)CC3)nc2)ncc1Cl.
What is the InChIKey of N-[5-chloro-4-[(2S)-1-methoxypropan-2-yl]oxy-2-pyridinyl]-2-[6-(1-cyano-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]acetamide?
The InChIKey is RWSSKNSHRBSDEH-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H24ClN5O3/c1-15(13-30-2)31-20-10-21(26-12-18(20)23)27-22(29)9-16-3-4-19(25-11-16)17-5-7-28(14-24)8-6-17/h3-5,10-12,15H,6-9,13H2,1-2H3,(H,26,27,29)/t15-/m0/s1.
What are the key properties of N-[5-chloro-4-[(2S)-1-methoxypropan-2-yl]oxy-2-pyridinyl]-2-[6-(1-cyano-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]acetamide?
N-[5-chloro-4-[(2S)-1-methoxypropan-2-yl]oxy-2-pyridinyl]-2-[6-(1-cyano-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]acetamide has a molecular weight of 441.92 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-4-[(2S)-1-methoxypropan-2-yl]oxy-2-pyridinyl]-2-[6-(1-cyano-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]acetamide is sourced from PubChem (CID 170715500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).