N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-methylpropanamide

C12H16N4O2 — CID 11601246

IUPACN-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-methylpropanamide
SMILESCCOc1nc(NC(=O)C(C)C)cc(N)c1C#N
InChIInChI=1S/C12H16N4O2/c1-4-18-12-8(6-13)9(14)5-10(16-12)15-11(17)7(2)3/h5,7H,4H2,1-3H3,(H3,14,15,16,17)
InChIKeyZVTJLFMPNKAXHW-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.53
Rot. Bonds4

About N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-methylpropanamide

N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-methylpropanamide (PubChem CID 11601246) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-methylpropanamide
PubChem CID11601246
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC NameN-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-methylpropanamide
SMILESCCOc1nc(NC(=O)C(C)C)cc(N)c1C#N
InChIInChI=1S/C12H16N4O2/c1-4-18-12-8(6-13)9(14)5-10(16-12)15-11(17)7(2)3/h5,7H,4H2,1-3H3,(H3,14,15,16,17)
InChIKeyZVTJLFMPNKAXHW-UHFFFAOYSA-N
XLogP1.53
TPSA101.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

CID 11493316
CID 11493316
CID 11499625
CID 11499625
CID 11500561
CID 11500561
CID 11544489
CID 11544489
CID 11558435
CID 11558435
CID 11558900
CID 11558900
CID 11587896
CID 11587896
CID 11602023
CID 11602023
CID 11602291
CID 11602291
CID 11615890
CID 11615890
CID 11667089
CID 11667089
CID 11715520
CID 11715520

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-methylpropanamide?
The IUPAC name of N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-methylpropanamide (CID 11601246) is N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-methylpropanamide.
What is the SMILES notation for N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-methylpropanamide?
The canonical SMILES for N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-methylpropanamide is CCOc1nc(NC(=O)C(C)C)cc(N)c1C#N.
What is the InChIKey of N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-methylpropanamide?
The InChIKey is ZVTJLFMPNKAXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-4-18-12-8(6-13)9(14)5-10(16-12)15-11(17)7(2)3/h5,7H,4H2,1-3H3,(H3,14,15,16,17).
What are the key properties of N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-methylpropanamide?
N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-methylpropanamide has a molecular weight of 248.29 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-methylpropanamide is sourced from PubChem (CID 11601246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).