2-amino-5-cyano-6-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-phenylpyridine-3-carboxamide

C20H19N7O2S — CID 36624834

IUPAC2-amino-5-cyano-6-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-phenylpyridine-3-carboxamide
SMILESCc1cc(NC(=O)CSc2nc(N)c(C(=O)Nc3ccccc3)cc2C#N)n(C)n1
InChIInChI=1S/C20H19N7O2S/c1-12-8-16(27(2)26-12)24-17(28)11-30-20-13(10-21)9-15(18(22)25-20)19(29)23-14-6-4-3-5-7-14/h3-9H,11H2,1-2H3,(H2,22,25)(H,23,29)(H,24,28)
InChIKeyWLFJRBOMAVSORG-UHFFFAOYSA-N
MW421.49 g/mol
LogP2.56
Rot. Bonds6

About 2-amino-5-cyano-6-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-phenylpyridine-3-carboxamide

2-amino-5-cyano-6-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-phenylpyridine-3-carboxamide (PubChem CID 36624834) has the molecular formula C20H19N7O2S and a molecular weight of 421.49 g/mol. Its IUPAC name is 2-amino-5-cyano-6-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-phenylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-cyano-6-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-phenylpyridine-3-carboxamide
PubChem CID36624834
Molecular FormulaC20H19N7O2S
Molecular Weight421.49 g/mol
Exact Mass421.13
IUPAC Name2-amino-5-cyano-6-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-phenylpyridine-3-carboxamide
SMILESCc1cc(NC(=O)CSc2nc(N)c(C(=O)Nc3ccccc3)cc2C#N)n(C)n1
InChIInChI=1S/C20H19N7O2S/c1-12-8-16(27(2)26-12)24-17(28)11-30-20-13(10-21)9-15(18(22)25-20)19(29)23-14-6-4-3-5-7-14/h3-9H,11H2,1-2H3,(H2,22,25)(H,23,29)(H,24,28)
InChIKeyWLFJRBOMAVSORG-UHFFFAOYSA-N
XLogP2.56
TPSA138.72 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.49
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-amino-5-cyano-6-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-phenylpyridine-3-carboxamide with MolForge

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Related Compounds

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2-amino-6-[2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethyl]sulfanyl-5-cyano-N-phenylpyridine-3-carboxamide
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ethyl 5-cyano-2-methyl-6-[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl]sulfanylpyridine-3-carboxylate
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2-amino-5-cyano-6-[2-(dimethylamino)-2-oxo-1-phenylethyl]sulfanyl-N-phenylpyridine-3-carboxamide
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2-[(3-cyano-6-ethyl-5-methyl-2-pyridinyl)sulfanyl]-N-phenylacetamide
CID 689229
4-[[2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)sulfanyl]acetyl]amino]benzamide
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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-cyano-6-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-phenylpyridine-3-carboxamide?
The IUPAC name of 2-amino-5-cyano-6-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-phenylpyridine-3-carboxamide (CID 36624834) is 2-amino-5-cyano-6-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-phenylpyridine-3-carboxamide.
What is the SMILES notation for 2-amino-5-cyano-6-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-phenylpyridine-3-carboxamide?
The canonical SMILES for 2-amino-5-cyano-6-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-phenylpyridine-3-carboxamide is Cc1cc(NC(=O)CSc2nc(N)c(C(=O)Nc3ccccc3)cc2C#N)n(C)n1.
What is the InChIKey of 2-amino-5-cyano-6-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-phenylpyridine-3-carboxamide?
The InChIKey is WLFJRBOMAVSORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O2S/c1-12-8-16(27(2)26-12)24-17(28)11-30-20-13(10-21)9-15(18(22)25-20)19(29)23-14-6-4-3-5-7-14/h3-9H,11H2,1-2H3,(H2,22,25)(H,23,29)(H,24,28).
What are the key properties of 2-amino-5-cyano-6-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-phenylpyridine-3-carboxamide?
2-amino-5-cyano-6-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-phenylpyridine-3-carboxamide has a molecular weight of 421.49 g/mol, XLogP of 2.56, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-cyano-6-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-phenylpyridine-3-carboxamide is sourced from PubChem (CID 36624834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).