5-[(4-amino-5-cyano-6-ethoxypyridine-2-carbonyl)amino]-1H-indole-3-carboxamide

C18H16N6O3 — CID 70924825

IUPAC5-[(4-amino-5-cyano-6-ethoxypyridine-2-carbonyl)amino]-1H-indole-3-carboxamide
SMILESCCOc1nc(C(=O)Nc2ccc3[nH]cc(C(N)=O)c3c2)cc(N)c1C#N
InChIInChI=1S/C18H16N6O3/c1-2-27-18-11(7-19)13(20)6-15(24-18)17(26)23-9-3-4-14-10(5-9)12(8-22-14)16(21)25/h3-6,8,22H,2H2,1H3,(H2,20,24)(H2,21,25)(H,23,26)
InChIKeyKZSVVYNYWATVIQ-UHFFFAOYSA-N
MW364.37 g/mol
LogP1.77
Rot. Bonds5

About 5-[(4-amino-5-cyano-6-ethoxypyridine-2-carbonyl)amino]-1H-indole-3-carboxamide

5-[(4-amino-5-cyano-6-ethoxypyridine-2-carbonyl)amino]-1H-indole-3-carboxamide (PubChem CID 70924825) has the molecular formula C18H16N6O3 and a molecular weight of 364.37 g/mol. Its IUPAC name is 5-[(4-amino-5-cyano-6-ethoxypyridine-2-carbonyl)amino]-1H-indole-3-carboxamide.

Molecular Properties

Compound Name5-[(4-amino-5-cyano-6-ethoxypyridine-2-carbonyl)amino]-1H-indole-3-carboxamide
PubChem CID70924825
Molecular FormulaC18H16N6O3
Molecular Weight364.37 g/mol
Exact Mass364.13
IUPAC Name5-[(4-amino-5-cyano-6-ethoxypyridine-2-carbonyl)amino]-1H-indole-3-carboxamide
SMILESCCOc1nc(C(=O)Nc2ccc3[nH]cc(C(N)=O)c3c2)cc(N)c1C#N
InChIInChI=1S/C18H16N6O3/c1-2-27-18-11(7-19)13(20)6-15(24-18)17(26)23-9-3-4-14-10(5-9)12(8-22-14)16(21)25/h3-6,8,22H,2H2,1H3,(H2,20,24)(H2,21,25)(H,23,26)
InChIKeyKZSVVYNYWATVIQ-UHFFFAOYSA-N
XLogP1.77
TPSA159.91 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 51.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-amino-5-cyano-6-ethoxypyridine-2-carbonyl)amino]-1H-indole-3-carboxamide?
The IUPAC name of 5-[(4-amino-5-cyano-6-ethoxypyridine-2-carbonyl)amino]-1H-indole-3-carboxamide (CID 70924825) is 5-[(4-amino-5-cyano-6-ethoxypyridine-2-carbonyl)amino]-1H-indole-3-carboxamide.
What is the SMILES notation for 5-[(4-amino-5-cyano-6-ethoxypyridine-2-carbonyl)amino]-1H-indole-3-carboxamide?
The canonical SMILES for 5-[(4-amino-5-cyano-6-ethoxypyridine-2-carbonyl)amino]-1H-indole-3-carboxamide is CCOc1nc(C(=O)Nc2ccc3[nH]cc(C(N)=O)c3c2)cc(N)c1C#N.
What is the InChIKey of 5-[(4-amino-5-cyano-6-ethoxypyridine-2-carbonyl)amino]-1H-indole-3-carboxamide?
The InChIKey is KZSVVYNYWATVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O3/c1-2-27-18-11(7-19)13(20)6-15(24-18)17(26)23-9-3-4-14-10(5-9)12(8-22-14)16(21)25/h3-6,8,22H,2H2,1H3,(H2,20,24)(H2,21,25)(H,23,26).
What are the key properties of 5-[(4-amino-5-cyano-6-ethoxypyridine-2-carbonyl)amino]-1H-indole-3-carboxamide?
5-[(4-amino-5-cyano-6-ethoxypyridine-2-carbonyl)amino]-1H-indole-3-carboxamide has a molecular weight of 364.37 g/mol, XLogP of 1.77, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-amino-5-cyano-6-ethoxypyridine-2-carbonyl)amino]-1H-indole-3-carboxamide is sourced from PubChem (CID 70924825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).