4-amino-5-cyano-N-(cyclopropylmethyl)-6-ethoxypyridine-2-carboxamide

C13H16N4O2 — CID 70924791

IUPAC4-amino-5-cyano-N-(cyclopropylmethyl)-6-ethoxypyridine-2-carboxamide
SMILESCCOc1nc(C(=O)NCC2CC2)cc(N)c1C#N
InChIInChI=1S/C13H16N4O2/c1-2-19-13-9(6-14)10(15)5-11(17-13)12(18)16-7-8-3-4-8/h5,8H,2-4,7H2,1H3,(H2,15,17)(H,16,18)
InChIKeyCXFDYHYLWVHEIU-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.07
Rot. Bonds5

About 4-amino-5-cyano-N-(cyclopropylmethyl)-6-ethoxypyridine-2-carboxamide

4-amino-5-cyano-N-(cyclopropylmethyl)-6-ethoxypyridine-2-carboxamide (PubChem CID 70924791) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 4-amino-5-cyano-N-(cyclopropylmethyl)-6-ethoxypyridine-2-carboxamide.

Molecular Properties

Compound Name4-amino-5-cyano-N-(cyclopropylmethyl)-6-ethoxypyridine-2-carboxamide
PubChem CID70924791
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name4-amino-5-cyano-N-(cyclopropylmethyl)-6-ethoxypyridine-2-carboxamide
SMILESCCOc1nc(C(=O)NCC2CC2)cc(N)c1C#N
InChIInChI=1S/C13H16N4O2/c1-2-19-13-9(6-14)10(15)5-11(17-13)12(18)16-7-8-3-4-8/h5,8H,2-4,7H2,1H3,(H2,15,17)(H,16,18)
InChIKeyCXFDYHYLWVHEIU-UHFFFAOYSA-N
XLogP1.07
TPSA101.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-cyano-N-(cyclopropylmethyl)-6-ethoxypyridine-2-carboxamide?
The IUPAC name of 4-amino-5-cyano-N-(cyclopropylmethyl)-6-ethoxypyridine-2-carboxamide (CID 70924791) is 4-amino-5-cyano-N-(cyclopropylmethyl)-6-ethoxypyridine-2-carboxamide.
What is the SMILES notation for 4-amino-5-cyano-N-(cyclopropylmethyl)-6-ethoxypyridine-2-carboxamide?
The canonical SMILES for 4-amino-5-cyano-N-(cyclopropylmethyl)-6-ethoxypyridine-2-carboxamide is CCOc1nc(C(=O)NCC2CC2)cc(N)c1C#N.
What is the InChIKey of 4-amino-5-cyano-N-(cyclopropylmethyl)-6-ethoxypyridine-2-carboxamide?
The InChIKey is CXFDYHYLWVHEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-2-19-13-9(6-14)10(15)5-11(17-13)12(18)16-7-8-3-4-8/h5,8H,2-4,7H2,1H3,(H2,15,17)(H,16,18).
What are the key properties of 4-amino-5-cyano-N-(cyclopropylmethyl)-6-ethoxypyridine-2-carboxamide?
4-amino-5-cyano-N-(cyclopropylmethyl)-6-ethoxypyridine-2-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-cyano-N-(cyclopropylmethyl)-6-ethoxypyridine-2-carboxamide is sourced from PubChem (CID 70924791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).