4-amino-5-cyano-6-ethoxy-N-[[4-(thiadiazol-5-yl)phenyl]methyl]pyridine-2-carboxamide

C18H16N6O2S — CID 66920638

IUPAC4-amino-5-cyano-6-ethoxy-N-[[4-(thiadiazol-5-yl)phenyl]methyl]pyridine-2-carboxamide
SMILESCCOc1nc(C(=O)NCc2ccc(-c3cnns3)cc2)cc(N)c1C#N
InChIInChI=1S/C18H16N6O2S/c1-2-26-18-13(8-19)14(20)7-15(23-18)17(25)21-9-11-3-5-12(6-4-11)16-10-22-24-27-16/h3-7,10H,2,9H2,1H3,(H2,20,23)(H,21,25)
InChIKeyQWGWGNWKYSRTIU-UHFFFAOYSA-N
MW380.43 g/mol
LogP2.38
Rot. Bonds6

About 4-amino-5-cyano-6-ethoxy-N-[[4-(thiadiazol-5-yl)phenyl]methyl]pyridine-2-carboxamide

4-amino-5-cyano-6-ethoxy-N-[[4-(thiadiazol-5-yl)phenyl]methyl]pyridine-2-carboxamide (PubChem CID 66920638) has the molecular formula C18H16N6O2S and a molecular weight of 380.43 g/mol. Its IUPAC name is 4-amino-5-cyano-6-ethoxy-N-[[4-(thiadiazol-5-yl)phenyl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-amino-5-cyano-6-ethoxy-N-[[4-(thiadiazol-5-yl)phenyl]methyl]pyridine-2-carboxamide
PubChem CID66920638
Molecular FormulaC18H16N6O2S
Molecular Weight380.43 g/mol
Exact Mass380.11
IUPAC Name4-amino-5-cyano-6-ethoxy-N-[[4-(thiadiazol-5-yl)phenyl]methyl]pyridine-2-carboxamide
SMILESCCOc1nc(C(=O)NCc2ccc(-c3cnns3)cc2)cc(N)c1C#N
InChIInChI=1S/C18H16N6O2S/c1-2-26-18-13(8-19)14(20)7-15(23-18)17(25)21-9-11-3-5-12(6-4-11)16-10-22-24-27-16/h3-7,10H,2,9H2,1H3,(H2,20,23)(H,21,25)
InChIKeyQWGWGNWKYSRTIU-UHFFFAOYSA-N
XLogP2.38
TPSA126.81 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-[[(4-amino-5-cyano-6-ethoxypyridine-2-carbonyl)amino]methyl]benzoic acid
CID 66920940
4-amino-5-cyano-6-ethoxy-N-[(4-nitrophenyl)methyl]pyridine-2-carboxamide
CID 11522966
4-amino-5-cyano-6-ethoxy-N-[(3-fluorophenyl)methyl]pyridine-2-carboxamide
CID 11493365
4-amino-5-cyano-6-ethoxy-N-[(6-methylsulfonyl-3-pyridinyl)methyl]pyridine-2-carboxamide
CID 66920733
4-amino-5-cyano-6-ethoxy-N-[[6-[3-(methylcarbamoyl)phenyl]-3-pyridinyl]methyl]pyridine-2-carboxamide
CID 66920815
4-amino-5-cyano-6-ethoxy-N-[(4-morpholin-4-ylphenyl)methyl]pyridine-2-carboxamide
CID 66920795
4-amino-5-cyano-6-ethoxy-N-[(4-fluoro-3-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 66920814
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-amino-5-cyano-6-ethoxy-N-phenylpyridine-2-carboxamide
CID 70924732
4-amino-5-cyano-6-ethoxy-N-(3-methylsulfanylpropyl)pyridine-2-carboxamide
CID 66920839
4-amino-5-cyano-6-ethoxy-N-[[1-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]piperidin-4-yl]methyl]pyridine-2-carboxamide
CID 58503955

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-cyano-6-ethoxy-N-[[4-(thiadiazol-5-yl)phenyl]methyl]pyridine-2-carboxamide?
The IUPAC name of 4-amino-5-cyano-6-ethoxy-N-[[4-(thiadiazol-5-yl)phenyl]methyl]pyridine-2-carboxamide (CID 66920638) is 4-amino-5-cyano-6-ethoxy-N-[[4-(thiadiazol-5-yl)phenyl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-amino-5-cyano-6-ethoxy-N-[[4-(thiadiazol-5-yl)phenyl]methyl]pyridine-2-carboxamide?
The canonical SMILES for 4-amino-5-cyano-6-ethoxy-N-[[4-(thiadiazol-5-yl)phenyl]methyl]pyridine-2-carboxamide is CCOc1nc(C(=O)NCc2ccc(-c3cnns3)cc2)cc(N)c1C#N.
What is the InChIKey of 4-amino-5-cyano-6-ethoxy-N-[[4-(thiadiazol-5-yl)phenyl]methyl]pyridine-2-carboxamide?
The InChIKey is QWGWGNWKYSRTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O2S/c1-2-26-18-13(8-19)14(20)7-15(23-18)17(25)21-9-11-3-5-12(6-4-11)16-10-22-24-27-16/h3-7,10H,2,9H2,1H3,(H2,20,23)(H,21,25).
What are the key properties of 4-amino-5-cyano-6-ethoxy-N-[[4-(thiadiazol-5-yl)phenyl]methyl]pyridine-2-carboxamide?
4-amino-5-cyano-6-ethoxy-N-[[4-(thiadiazol-5-yl)phenyl]methyl]pyridine-2-carboxamide has a molecular weight of 380.43 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-cyano-6-ethoxy-N-[[4-(thiadiazol-5-yl)phenyl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 66920638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).