2-[5-cyano-2-(ethylamino)-3-pyridinyl]-N-(4-methyl-3-pyridinyl)acetamide

C16H17N5O — CID 154704202

IUPAC2-[5-cyano-2-(ethylamino)-3-pyridinyl]-N-(4-methyl-3-pyridinyl)acetamide
SMILESCCNc1ncc(C#N)cc1CC(=O)Nc1cnccc1C
InChIInChI=1S/C16H17N5O/c1-3-19-16-13(6-12(8-17)9-20-16)7-15(22)21-14-10-18-5-4-11(14)2/h4-6,9-10H,3,7H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyGAZANVRBUWAFDH-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.27
Rot. Bonds5

About 2-[5-cyano-2-(ethylamino)-3-pyridinyl]-N-(4-methyl-3-pyridinyl)acetamide

2-[5-cyano-2-(ethylamino)-3-pyridinyl]-N-(4-methyl-3-pyridinyl)acetamide (PubChem CID 154704202) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 2-[5-cyano-2-(ethylamino)-3-pyridinyl]-N-(4-methyl-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[5-cyano-2-(ethylamino)-3-pyridinyl]-N-(4-methyl-3-pyridinyl)acetamide
PubChem CID154704202
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name2-[5-cyano-2-(ethylamino)-3-pyridinyl]-N-(4-methyl-3-pyridinyl)acetamide
SMILESCCNc1ncc(C#N)cc1CC(=O)Nc1cnccc1C
InChIInChI=1S/C16H17N5O/c1-3-19-16-13(6-12(8-17)9-20-16)7-15(22)21-14-10-18-5-4-11(14)2/h4-6,9-10H,3,7H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyGAZANVRBUWAFDH-UHFFFAOYSA-N
XLogP2.27
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(ethylamino)-N-(4-methyl-3-pyridinyl)acetamide
CID 63327490
2-bromo-N-(4-methyl-3-pyridinyl)acetamide
CID 63678424
2-(4-chlorophenyl)-N-(4-methyl-3-pyridinyl)acetamide
CID 56826552
2-[3-(hydroxymethyl)phenyl]-N-(4-methyl-3-pyridinyl)acetamide
CID 154875992
1-[5-cyano-2-(ethylamino)-3-pyridinyl]-3-phenylurea
CID 154725535
4-(ethylamino)-N-(4-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 81241556
1-ethyl-3-(4-methyl-3-pyridinyl)urea
CID 115776522
2-(3-fluorophenyl)-N-(4-methyl-3-pyridinyl)acetamide
CID 154859403
4-hydroxy-N-(4-methyl-3-pyridinyl)pentanamide
CID 79191742
N-(4-methyl-3-pyridinyl)-2-(propylamino)acetamide
CID 63327491
1,3-bis(4-methyl-3-pyridinyl)urea
CID 86818735
2-(4-chlorophenoxy)-N-(4-methyl-3-pyridinyl)acetamide
CID 56826553

Frequently Asked Questions

What is the IUPAC name of 2-[5-cyano-2-(ethylamino)-3-pyridinyl]-N-(4-methyl-3-pyridinyl)acetamide?
The IUPAC name of 2-[5-cyano-2-(ethylamino)-3-pyridinyl]-N-(4-methyl-3-pyridinyl)acetamide (CID 154704202) is 2-[5-cyano-2-(ethylamino)-3-pyridinyl]-N-(4-methyl-3-pyridinyl)acetamide.
What is the SMILES notation for 2-[5-cyano-2-(ethylamino)-3-pyridinyl]-N-(4-methyl-3-pyridinyl)acetamide?
The canonical SMILES for 2-[5-cyano-2-(ethylamino)-3-pyridinyl]-N-(4-methyl-3-pyridinyl)acetamide is CCNc1ncc(C#N)cc1CC(=O)Nc1cnccc1C.
What is the InChIKey of 2-[5-cyano-2-(ethylamino)-3-pyridinyl]-N-(4-methyl-3-pyridinyl)acetamide?
The InChIKey is GAZANVRBUWAFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-3-19-16-13(6-12(8-17)9-20-16)7-15(22)21-14-10-18-5-4-11(14)2/h4-6,9-10H,3,7H2,1-2H3,(H,19,20)(H,21,22).
What are the key properties of 2-[5-cyano-2-(ethylamino)-3-pyridinyl]-N-(4-methyl-3-pyridinyl)acetamide?
2-[5-cyano-2-(ethylamino)-3-pyridinyl]-N-(4-methyl-3-pyridinyl)acetamide has a molecular weight of 295.35 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-cyano-2-(ethylamino)-3-pyridinyl]-N-(4-methyl-3-pyridinyl)acetamide is sourced from PubChem (CID 154704202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).