N-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-(2,4-dimethoxyphenyl)acetamide

C18H19N3O3 — CID 706817

IUPACN-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-(2,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(N(C(C)=O)c2nc(C)cc(C)c2C#N)c(OC)c1
InChIInChI=1S/C18H19N3O3/c1-11-8-12(2)20-18(15(11)10-19)21(13(3)22)16-7-6-14(23-4)9-17(16)24-5/h6-9H,1-5H3
InChIKeyLEGPVHOKWASUAN-UHFFFAOYSA-N
MW325.37 g/mol
LogP3.27
Rot. Bonds4

About N-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-(2,4-dimethoxyphenyl)acetamide

N-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-(2,4-dimethoxyphenyl)acetamide (PubChem CID 706817) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-(2,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-(2,4-dimethoxyphenyl)acetamide
PubChem CID706817
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC NameN-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-(2,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(N(C(C)=O)c2nc(C)cc(C)c2C#N)c(OC)c1
InChIInChI=1S/C18H19N3O3/c1-11-8-12(2)20-18(15(11)10-19)21(13(3)22)16-7-6-14(23-4)9-17(16)24-5/h6-9H,1-5H3
InChIKeyLEGPVHOKWASUAN-UHFFFAOYSA-N
XLogP3.27
TPSA75.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

CID 769338
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CID 747288
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CID 656367
CID 656367
CID 751349
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CID 886703
CID 886703
CID 892596
CID 892596
CID 1448085
CID 1448085
CID 740895
CID 740895
CID 807311
CID 807311
CID 169107387
CID 169107387
CID 24702383
CID 24702383
CID 172645878
CID 172645878

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-(2,4-dimethoxyphenyl)acetamide?
The IUPAC name of N-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-(2,4-dimethoxyphenyl)acetamide (CID 706817) is N-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-(2,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for N-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-(2,4-dimethoxyphenyl)acetamide?
The canonical SMILES for N-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-(2,4-dimethoxyphenyl)acetamide is COc1ccc(N(C(C)=O)c2nc(C)cc(C)c2C#N)c(OC)c1.
What is the InChIKey of N-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-(2,4-dimethoxyphenyl)acetamide?
The InChIKey is LEGPVHOKWASUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-11-8-12(2)20-18(15(11)10-19)21(13(3)22)16-7-6-14(23-4)9-17(16)24-5/h6-9H,1-5H3.
What are the key properties of N-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-(2,4-dimethoxyphenyl)acetamide?
N-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-(2,4-dimethoxyphenyl)acetamide has a molecular weight of 325.37 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-(2,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 706817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).