2-[[6-amino-3,5-dicyano-4-(furan-2-yl)-2-pyridinyl]sulfanyl]-N-pyridin-2-ylpropanamide

C19H14N6O2S — CID 23970545

IUPAC2-[[6-amino-3,5-dicyano-4-(furan-2-yl)-2-pyridinyl]sulfanyl]-N-pyridin-2-ylpropanamide
SMILESCC(Sc1nc(N)c(C#N)c(-c2ccco2)c1C#N)C(=O)Nc1ccccn1
InChIInChI=1S/C19H14N6O2S/c1-11(18(26)24-15-6-2-3-7-23-15)28-19-13(10-21)16(14-5-4-8-27-14)12(9-20)17(22)25-19/h2-8,11H,1H3,(H2,22,25)(H,23,24,26)
InChIKeyNVEQTZVWIKGDRP-UHFFFAOYSA-N
MW390.43 g/mol
LogP3.18
Rot. Bonds5

About 2-[[6-amino-3,5-dicyano-4-(furan-2-yl)-2-pyridinyl]sulfanyl]-N-pyridin-2-ylpropanamide

2-[[6-amino-3,5-dicyano-4-(furan-2-yl)-2-pyridinyl]sulfanyl]-N-pyridin-2-ylpropanamide (PubChem CID 23970545) has the molecular formula C19H14N6O2S and a molecular weight of 390.43 g/mol. Its IUPAC name is 2-[[6-amino-3,5-dicyano-4-(furan-2-yl)-2-pyridinyl]sulfanyl]-N-pyridin-2-ylpropanamide.

Molecular Properties

Compound Name2-[[6-amino-3,5-dicyano-4-(furan-2-yl)-2-pyridinyl]sulfanyl]-N-pyridin-2-ylpropanamide
PubChem CID23970545
Molecular FormulaC19H14N6O2S
Molecular Weight390.43 g/mol
Exact Mass390.09
IUPAC Name2-[[6-amino-3,5-dicyano-4-(furan-2-yl)-2-pyridinyl]sulfanyl]-N-pyridin-2-ylpropanamide
SMILESCC(Sc1nc(N)c(C#N)c(-c2ccco2)c1C#N)C(=O)Nc1ccccn1
InChIInChI=1S/C19H14N6O2S/c1-11(18(26)24-15-6-2-3-7-23-15)28-19-13(10-21)16(14-5-4-8-27-14)12(9-20)17(22)25-19/h2-8,11H,1H3,(H2,22,25)(H,23,24,26)
InChIKeyNVEQTZVWIKGDRP-UHFFFAOYSA-N
XLogP3.18
TPSA141.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.43
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-amino-3,5-dicyano-4-(furan-2-yl)-2-pyridinyl]sulfanyl]-N-pyridin-2-ylpropanamide?
The IUPAC name of 2-[[6-amino-3,5-dicyano-4-(furan-2-yl)-2-pyridinyl]sulfanyl]-N-pyridin-2-ylpropanamide (CID 23970545) is 2-[[6-amino-3,5-dicyano-4-(furan-2-yl)-2-pyridinyl]sulfanyl]-N-pyridin-2-ylpropanamide.
What is the SMILES notation for 2-[[6-amino-3,5-dicyano-4-(furan-2-yl)-2-pyridinyl]sulfanyl]-N-pyridin-2-ylpropanamide?
The canonical SMILES for 2-[[6-amino-3,5-dicyano-4-(furan-2-yl)-2-pyridinyl]sulfanyl]-N-pyridin-2-ylpropanamide is CC(Sc1nc(N)c(C#N)c(-c2ccco2)c1C#N)C(=O)Nc1ccccn1.
What is the InChIKey of 2-[[6-amino-3,5-dicyano-4-(furan-2-yl)-2-pyridinyl]sulfanyl]-N-pyridin-2-ylpropanamide?
The InChIKey is NVEQTZVWIKGDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N6O2S/c1-11(18(26)24-15-6-2-3-7-23-15)28-19-13(10-21)16(14-5-4-8-27-14)12(9-20)17(22)25-19/h2-8,11H,1H3,(H2,22,25)(H,23,24,26).
What are the key properties of 2-[[6-amino-3,5-dicyano-4-(furan-2-yl)-2-pyridinyl]sulfanyl]-N-pyridin-2-ylpropanamide?
2-[[6-amino-3,5-dicyano-4-(furan-2-yl)-2-pyridinyl]sulfanyl]-N-pyridin-2-ylpropanamide has a molecular weight of 390.43 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-amino-3,5-dicyano-4-(furan-2-yl)-2-pyridinyl]sulfanyl]-N-pyridin-2-ylpropanamide is sourced from PubChem (CID 23970545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).