4-amino-5-cyano-6-ethoxy-N-[(6-methylsulfonyl-3-pyridinyl)methyl]pyridine-2-carboxamide

C16H17N5O4S — CID 66920733

IUPAC4-amino-5-cyano-6-ethoxy-N-[(6-methylsulfonyl-3-pyridinyl)methyl]pyridine-2-carboxamide
SMILESCCOc1nc(C(=O)NCc2ccc(S(C)(=O)=O)nc2)cc(N)c1C#N
InChIInChI=1S/C16H17N5O4S/c1-3-25-16-11(7-17)12(18)6-13(21-16)15(22)20-9-10-4-5-14(19-8-10)26(2,23)24/h4-6,8H,3,9H2,1-2H3,(H2,18,21)(H,20,22)
InChIKeyMCAFRGFQVVYUJG-UHFFFAOYSA-N
MW375.41 g/mol
LogP0.66
Rot. Bonds6

About 4-amino-5-cyano-6-ethoxy-N-[(6-methylsulfonyl-3-pyridinyl)methyl]pyridine-2-carboxamide

4-amino-5-cyano-6-ethoxy-N-[(6-methylsulfonyl-3-pyridinyl)methyl]pyridine-2-carboxamide (PubChem CID 66920733) has the molecular formula C16H17N5O4S and a molecular weight of 375.41 g/mol. Its IUPAC name is 4-amino-5-cyano-6-ethoxy-N-[(6-methylsulfonyl-3-pyridinyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-amino-5-cyano-6-ethoxy-N-[(6-methylsulfonyl-3-pyridinyl)methyl]pyridine-2-carboxamide
PubChem CID66920733
Molecular FormulaC16H17N5O4S
Molecular Weight375.41 g/mol
Exact Mass375.10
IUPAC Name4-amino-5-cyano-6-ethoxy-N-[(6-methylsulfonyl-3-pyridinyl)methyl]pyridine-2-carboxamide
SMILESCCOc1nc(C(=O)NCc2ccc(S(C)(=O)=O)nc2)cc(N)c1C#N
InChIInChI=1S/C16H17N5O4S/c1-3-25-16-11(7-17)12(18)6-13(21-16)15(22)20-9-10-4-5-14(19-8-10)26(2,23)24/h4-6,8H,3,9H2,1-2H3,(H2,18,21)(H,20,22)
InChIKeyMCAFRGFQVVYUJG-UHFFFAOYSA-N
XLogP0.66
TPSA148.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 50.66
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-[3-(methylcarbamoyl)phenyl]-3-pyridinyl]methyl]pyridine-2-carboxamide
CID 66920815
4-amino-5-cyano-6-ethoxy-N-[(4-fluoro-3-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 66920814
4-amino-5-cyano-6-ethoxy-N-[[4-(thiadiazol-5-yl)phenyl]methyl]pyridine-2-carboxamide
CID 66920638
4-amino-5-cyano-6-ethoxy-N-[(4-morpholin-4-ylphenyl)methyl]pyridine-2-carboxamide
CID 66920795
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-(3-methylsulfanylpropyl)pyridine-2-carboxamide
CID 66920839
4-amino-5-cyano-6-ethoxy-N-[3-(4-methylpiperazin-1-yl)propyl]pyridine-2-carboxamide
CID 70924901
4-amino-5-[1,4-bis(trimethylsilyl)but-1-en-3-ynyl]-6-ethoxy-N-[(4-methylsulfonylphenyl)methyl]pyridine-2-carboxamide
CID 86606905

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-cyano-6-ethoxy-N-[(6-methylsulfonyl-3-pyridinyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 4-amino-5-cyano-6-ethoxy-N-[(6-methylsulfonyl-3-pyridinyl)methyl]pyridine-2-carboxamide (CID 66920733) is 4-amino-5-cyano-6-ethoxy-N-[(6-methylsulfonyl-3-pyridinyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-amino-5-cyano-6-ethoxy-N-[(6-methylsulfonyl-3-pyridinyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 4-amino-5-cyano-6-ethoxy-N-[(6-methylsulfonyl-3-pyridinyl)methyl]pyridine-2-carboxamide is CCOc1nc(C(=O)NCc2ccc(S(C)(=O)=O)nc2)cc(N)c1C#N.
What is the InChIKey of 4-amino-5-cyano-6-ethoxy-N-[(6-methylsulfonyl-3-pyridinyl)methyl]pyridine-2-carboxamide?
The InChIKey is MCAFRGFQVVYUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O4S/c1-3-25-16-11(7-17)12(18)6-13(21-16)15(22)20-9-10-4-5-14(19-8-10)26(2,23)24/h4-6,8H,3,9H2,1-2H3,(H2,18,21)(H,20,22).
What are the key properties of 4-amino-5-cyano-6-ethoxy-N-[(6-methylsulfonyl-3-pyridinyl)methyl]pyridine-2-carboxamide?
4-amino-5-cyano-6-ethoxy-N-[(6-methylsulfonyl-3-pyridinyl)methyl]pyridine-2-carboxamide has a molecular weight of 375.41 g/mol, XLogP of 0.66, 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-[(6-methylsulfonyl-3-pyridinyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 66920733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).