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

C13H18N4O2S — CID 66920839

IUPAC4-amino-5-cyano-6-ethoxy-N-(3-methylsulfanylpropyl)pyridine-2-carboxamide
SMILESCCOc1nc(C(=O)NCCCSC)cc(N)c1C#N
InChIInChI=1S/C13H18N4O2S/c1-3-19-13-9(8-14)10(15)7-11(17-13)12(18)16-5-4-6-20-2/h7H,3-6H2,1-2H3,(H2,15,17)(H,16,18)
InChIKeyMSOGSPQZQZJDJT-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.42
Rot. Bonds7

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

4-amino-5-cyano-6-ethoxy-N-(3-methylsulfanylpropyl)pyridine-2-carboxamide (PubChem CID 66920839) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 4-amino-5-cyano-6-ethoxy-N-(3-methylsulfanylpropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-amino-5-cyano-6-ethoxy-N-(3-methylsulfanylpropyl)pyridine-2-carboxamide
PubChem CID66920839
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name4-amino-5-cyano-6-ethoxy-N-(3-methylsulfanylpropyl)pyridine-2-carboxamide
SMILESCCOc1nc(C(=O)NCCCSC)cc(N)c1C#N
InChIInChI=1S/C13H18N4O2S/c1-3-19-13-9(8-14)10(15)7-11(17-13)12(18)16-5-4-6-20-2/h7H,3-6H2,1-2H3,(H2,15,17)(H,16,18)
InChIKeyMSOGSPQZQZJDJT-UHFFFAOYSA-N
XLogP1.42
TPSA101.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-5-cyano-6-ethoxy-N-[3-(4-methylpiperazin-1-yl)propyl]pyridine-2-carboxamide
CID 70924901
4-amino-5-cyano-N-(cyclopropylmethyl)-6-ethoxypyridine-2-carboxamide
CID 70924791
4-amino-5-cyano-6-ethoxy-N-(2-pyridin-3-ylethyl)pyridine-2-carboxamide
CID 70924870
4-[[(4-amino-5-cyano-6-ethoxypyridine-2-carbonyl)amino]methyl]benzoic acid
CID 66920940
4-amino-5-cyano-6-ethoxy-N-[(3-fluorophenyl)methyl]pyridine-2-carboxamide
CID 11493365
4-amino-5-cyano-6-ethoxy-N-[(4-nitrophenyl)methyl]pyridine-2-carboxamide
CID 11522966
methyl 4-[[(4-amino-5-cyano-6-ethoxypyridine-2-carbonyl)amino]methyl]piperidine-1-carboxylate
CID 66920745
4-amino-5-cyano-N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-6-ethoxypyridine-2-carboxamide
CID 70924623
4-amino-5-cyano-6-ethoxy-N-[(4-fluoro-3-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 66920814
4-amino-5-cyano-6-ethoxy-N-[(6-methylsulfonyl-3-pyridinyl)methyl]pyridine-2-carboxamide
CID 66920733
4-amino-5-cyano-6-ethoxy-N-[(4-morpholin-4-ylphenyl)methyl]pyridine-2-carboxamide
CID 66920795
4-amino-5-cyano-6-ethoxy-N-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]pyridine-2-carboxamide
CID 66920699

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-cyano-6-ethoxy-N-(3-methylsulfanylpropyl)pyridine-2-carboxamide?
The IUPAC name of 4-amino-5-cyano-6-ethoxy-N-(3-methylsulfanylpropyl)pyridine-2-carboxamide (CID 66920839) is 4-amino-5-cyano-6-ethoxy-N-(3-methylsulfanylpropyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-amino-5-cyano-6-ethoxy-N-(3-methylsulfanylpropyl)pyridine-2-carboxamide?
The canonical SMILES for 4-amino-5-cyano-6-ethoxy-N-(3-methylsulfanylpropyl)pyridine-2-carboxamide is CCOc1nc(C(=O)NCCCSC)cc(N)c1C#N.
What is the InChIKey of 4-amino-5-cyano-6-ethoxy-N-(3-methylsulfanylpropyl)pyridine-2-carboxamide?
The InChIKey is MSOGSPQZQZJDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-3-19-13-9(8-14)10(15)7-11(17-13)12(18)16-5-4-6-20-2/h7H,3-6H2,1-2H3,(H2,15,17)(H,16,18).
What are the key properties of 4-amino-5-cyano-6-ethoxy-N-(3-methylsulfanylpropyl)pyridine-2-carboxamide?
4-amino-5-cyano-6-ethoxy-N-(3-methylsulfanylpropyl)pyridine-2-carboxamide has a molecular weight of 294.38 g/mol, XLogP of 1.42, 7 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-(3-methylsulfanylpropyl)pyridine-2-carboxamide is sourced from PubChem (CID 66920839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).