4-amino-5-cyano-6-ethoxy-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide

C15H15N5O2 — CID 11846126

IUPAC4-amino-5-cyano-6-ethoxy-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
SMILESCCOc1nc(C(=O)NCc2cccnc2)cc(N)c1C#N
InChIInChI=1S/C15H15N5O2/c1-2-22-15-11(7-16)12(17)6-13(20-15)14(21)19-9-10-4-3-5-18-8-10/h3-6,8H,2,9H2,1H3,(H2,17,20)(H,19,21)
InChIKeySZBUKBINUVLFEL-UHFFFAOYSA-N
MW297.32 g/mol
LogP1.26
Rot. Bonds5

About 4-amino-5-cyano-6-ethoxy-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide

4-amino-5-cyano-6-ethoxy-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide (PubChem CID 11846126) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is 4-amino-5-cyano-6-ethoxy-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-amino-5-cyano-6-ethoxy-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
PubChem CID11846126
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC Name4-amino-5-cyano-6-ethoxy-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
SMILESCCOc1nc(C(=O)NCc2cccnc2)cc(N)c1C#N
InChIInChI=1S/C15H15N5O2/c1-2-22-15-11(7-16)12(17)6-13(20-15)14(21)19-9-10-4-3-5-18-8-10/h3-6,8H,2,9H2,1H3,(H2,17,20)(H,19,21)
InChIKeySZBUKBINUVLFEL-UHFFFAOYSA-N
XLogP1.26
TPSA113.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-cyano-6-ethoxy-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 4-amino-5-cyano-6-ethoxy-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide (CID 11846126) is 4-amino-5-cyano-6-ethoxy-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-amino-5-cyano-6-ethoxy-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 4-amino-5-cyano-6-ethoxy-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide is CCOc1nc(C(=O)NCc2cccnc2)cc(N)c1C#N.
What is the InChIKey of 4-amino-5-cyano-6-ethoxy-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
The InChIKey is SZBUKBINUVLFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2/c1-2-22-15-11(7-16)12(17)6-13(20-15)14(21)19-9-10-4-3-5-18-8-10/h3-6,8H,2,9H2,1H3,(H2,17,20)(H,19,21).
What are the key properties of 4-amino-5-cyano-6-ethoxy-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
4-amino-5-cyano-6-ethoxy-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide has a molecular weight of 297.32 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-cyano-6-ethoxy-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 11846126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).