(2R)-2-cyano-N-(6-methoxy-3-pyridinyl)-2-phenylpropanamide

C16H15N3O2 — CID 100784971

IUPAC(2R)-2-cyano-N-(6-methoxy-3-pyridinyl)-2-phenylpropanamide
SMILESCOc1ccc(NC(=O)[C@@](C)(C#N)c2ccccc2)cn1
InChIInChI=1S/C16H15N3O2/c1-16(11-17,12-6-4-3-5-7-12)15(20)19-13-8-9-14(21-2)18-10-13/h3-10H,1-2H3,(H,19,20)/t16-/m0/s1
InChIKeyWCCSNEQBGOJIQG-INIZCTEOSA-N
MW281.32 g/mol
LogP2.51
Rot. Bonds4

About (2R)-2-cyano-N-(6-methoxy-3-pyridinyl)-2-phenylpropanamide

(2R)-2-cyano-N-(6-methoxy-3-pyridinyl)-2-phenylpropanamide (PubChem CID 100784971) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is (2R)-2-cyano-N-(6-methoxy-3-pyridinyl)-2-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-cyano-N-(6-methoxy-3-pyridinyl)-2-phenylpropanamide
PubChem CID100784971
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name(2R)-2-cyano-N-(6-methoxy-3-pyridinyl)-2-phenylpropanamide
SMILESCOc1ccc(NC(=O)[C@@](C)(C#N)c2ccccc2)cn1
InChIInChI=1S/C16H15N3O2/c1-16(11-17,12-6-4-3-5-7-12)15(20)19-13-8-9-14(21-2)18-10-13/h3-10H,1-2H3,(H,19,20)/t16-/m0/s1
InChIKeyWCCSNEQBGOJIQG-INIZCTEOSA-N
XLogP2.51
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(6-methoxy-3-pyridinyl)-2-methylpropanamide
CID 61266355
N-(6-methoxy-3-pyridinyl)-2-methyl-2-(methylamino)propanamide
CID 62834491
N-(6-methoxy-3-pyridinyl)-2-methyl-2-propoxyhexanamide
CID 133205912
N-(6-methoxy-3-pyridinyl)-2-methyl-2-propoxyheptanamide
CID 133205936
1-(6-methoxy-3-pyridinyl)-3-(1-phenylethyl)urea
CID 47139416
N-(6-methoxy-3-pyridinyl)-2-phenylsulfanylacetamide
CID 2486887
2-(2-methoxyphenoxy)-N-(6-methoxy-3-pyridinyl)acetamide
CID 2677021
N-(6-methoxy-3-pyridinyl)-4-phenylbutanamide
CID 52615794
N-(6-methoxy-3-pyridinyl)-2-phenoxy-2-phenylacetamide
CID 46489256
2-chloro-N-(6-methoxy-3-pyridinyl)acetamide
CID 2561820
2-(2-aminophenyl)-N-(6-methoxy-3-pyridinyl)acetamide
CID 16795634
N-(6-methoxy-3-pyridinyl)-3-phenyl-2-sulfanylpropanamide
CID 107020855

Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyano-N-(6-methoxy-3-pyridinyl)-2-phenylpropanamide?
The IUPAC name of (2R)-2-cyano-N-(6-methoxy-3-pyridinyl)-2-phenylpropanamide (CID 100784971) is (2R)-2-cyano-N-(6-methoxy-3-pyridinyl)-2-phenylpropanamide.
What is the SMILES notation for (2R)-2-cyano-N-(6-methoxy-3-pyridinyl)-2-phenylpropanamide?
The canonical SMILES for (2R)-2-cyano-N-(6-methoxy-3-pyridinyl)-2-phenylpropanamide is COc1ccc(NC(=O)[C@@](C)(C#N)c2ccccc2)cn1.
What is the InChIKey of (2R)-2-cyano-N-(6-methoxy-3-pyridinyl)-2-phenylpropanamide?
The InChIKey is WCCSNEQBGOJIQG-INIZCTEOSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-16(11-17,12-6-4-3-5-7-12)15(20)19-13-8-9-14(21-2)18-10-13/h3-10H,1-2H3,(H,19,20)/t16-/m0/s1.
What are the key properties of (2R)-2-cyano-N-(6-methoxy-3-pyridinyl)-2-phenylpropanamide?
(2R)-2-cyano-N-(6-methoxy-3-pyridinyl)-2-phenylpropanamide has a molecular weight of 281.32 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyano-N-(6-methoxy-3-pyridinyl)-2-phenylpropanamide is sourced from PubChem (CID 100784971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).