2-[(5-cyano-2-pyridinyl)-methylamino]-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]acetamide

C19H22N4O2 — CID 95161150

IUPAC2-[(5-cyano-2-pyridinyl)-methylamino]-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]acetamide
SMILESCc1ccc(OC[C@@H](C)NC(=O)CN(C)c2ccc(C#N)cn2)cc1
InChIInChI=1S/C19H22N4O2/c1-14-4-7-17(8-5-14)25-13-15(2)22-19(24)12-23(3)18-9-6-16(10-20)11-21-18/h4-9,11,15H,12-13H2,1-3H3,(H,22,24)/t15-/m1/s1
InChIKeyQKPWMTMILOXIOJ-OAHLLOKOSA-N
MW338.41 g/mol
LogP2.28
Rot. Bonds7

About 2-[(5-cyano-2-pyridinyl)-methylamino]-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]acetamide

2-[(5-cyano-2-pyridinyl)-methylamino]-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]acetamide (PubChem CID 95161150) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-[(5-cyano-2-pyridinyl)-methylamino]-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-[(5-cyano-2-pyridinyl)-methylamino]-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]acetamide
PubChem CID95161150
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name2-[(5-cyano-2-pyridinyl)-methylamino]-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]acetamide
SMILESCc1ccc(OC[C@@H](C)NC(=O)CN(C)c2ccc(C#N)cn2)cc1
InChIInChI=1S/C19H22N4O2/c1-14-4-7-17(8-5-14)25-13-15(2)22-19(24)12-23(3)18-9-6-16(10-20)11-21-18/h4-9,11,15H,12-13H2,1-3H3,(H,22,24)/t15-/m1/s1
InChIKeyQKPWMTMILOXIOJ-OAHLLOKOSA-N
XLogP2.28
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(5-cyano-2-pyridinyl)-methylamino]-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]acetamide with MolForge

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Related Compounds

2-[(5-cyano-2-pyridinyl)-methylamino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 47359694
2-[(5-cyano-2-pyridinyl)-methylamino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 47359932
2-[(5-cyano-2-pyridinyl)-methylamino]-N-[furan-2-yl(phenyl)methyl]acetamide
CID 71976556
6-[methyl-[(4-methylphenyl)methyl]amino]pyridine-3-carbonitrile
CID 28799351
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
CID 43895296
2-[(5-cyano-2-pyridinyl)-methylamino]-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
CID 71861276
4-hydroxy-N-[1-(4-methylphenoxy)propan-2-yl]butanamide
CID 79192194
N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-2-(4-methylphenyl)acetamide
CID 92680005
2-[(5-cyano-2-pyridinyl)-methylamino]-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)acetamide
CID 51124349
2-[(5-cyano-2-pyridinyl)-methylamino]-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 56818310
2-(2,5-dimethylphenyl)-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
CID 132650444
2,2-dimethyl-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]propanamide
CID 52773928

Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyano-2-pyridinyl)-methylamino]-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]acetamide?
The IUPAC name of 2-[(5-cyano-2-pyridinyl)-methylamino]-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]acetamide (CID 95161150) is 2-[(5-cyano-2-pyridinyl)-methylamino]-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]acetamide.
What is the SMILES notation for 2-[(5-cyano-2-pyridinyl)-methylamino]-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]acetamide?
The canonical SMILES for 2-[(5-cyano-2-pyridinyl)-methylamino]-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]acetamide is Cc1ccc(OC[C@@H](C)NC(=O)CN(C)c2ccc(C#N)cn2)cc1.
What is the InChIKey of 2-[(5-cyano-2-pyridinyl)-methylamino]-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]acetamide?
The InChIKey is QKPWMTMILOXIOJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-14-4-7-17(8-5-14)25-13-15(2)22-19(24)12-23(3)18-9-6-16(10-20)11-21-18/h4-9,11,15H,12-13H2,1-3H3,(H,22,24)/t15-/m1/s1.
What are the key properties of 2-[(5-cyano-2-pyridinyl)-methylamino]-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]acetamide?
2-[(5-cyano-2-pyridinyl)-methylamino]-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]acetamide has a molecular weight of 338.41 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyano-2-pyridinyl)-methylamino]-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]acetamide is sourced from PubChem (CID 95161150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).