4-amino-5-cyano-6-ethoxy-N-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]pyridine-2-carboxamide

C15H21N5O4S — CID 66920699

IUPAC4-amino-5-cyano-6-ethoxy-N-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]pyridine-2-carboxamide
SMILESCCOc1nc(C(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)cc(N)c1C#N
InChIInChI=1S/C15H21N5O4S/c1-3-24-15-11(7-16)12(17)6-13(19-15)14(21)18-8-10-4-5-20(9-10)25(2,22)23/h6,10H,3-5,8-9H2,1-2H3,(H2,17,19)(H,18,21)/t10-/m0/s1
InChIKeyGACZCXSWSZQDBF-JTQLQIEISA-N
MW367.43 g/mol
LogP-0.05
Rot. Bonds6

About 4-amino-5-cyano-6-ethoxy-N-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]pyridine-2-carboxamide

4-amino-5-cyano-6-ethoxy-N-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]pyridine-2-carboxamide (PubChem CID 66920699) has the molecular formula C15H21N5O4S and a molecular weight of 367.43 g/mol. Its IUPAC name is 4-amino-5-cyano-6-ethoxy-N-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-amino-5-cyano-6-ethoxy-N-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]pyridine-2-carboxamide
PubChem CID66920699
Molecular FormulaC15H21N5O4S
Molecular Weight367.43 g/mol
Exact Mass367.13
IUPAC Name4-amino-5-cyano-6-ethoxy-N-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]pyridine-2-carboxamide
SMILESCCOc1nc(C(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)cc(N)c1C#N
InChIInChI=1S/C15H21N5O4S/c1-3-24-15-11(7-16)12(17)6-13(19-15)14(21)18-8-10-4-5-20(9-10)25(2,22)23/h6,10H,3-5,8-9H2,1-2H3,(H2,17,19)(H,18,21)/t10-/m0/s1
InChIKeyGACZCXSWSZQDBF-JTQLQIEISA-N
XLogP-0.05
TPSA138.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-cyano-6-ethoxy-N-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]pyridine-2-carboxamide?
The IUPAC name of 4-amino-5-cyano-6-ethoxy-N-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]pyridine-2-carboxamide (CID 66920699) is 4-amino-5-cyano-6-ethoxy-N-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-amino-5-cyano-6-ethoxy-N-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]pyridine-2-carboxamide?
The canonical SMILES for 4-amino-5-cyano-6-ethoxy-N-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]pyridine-2-carboxamide is CCOc1nc(C(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)cc(N)c1C#N.
What is the InChIKey of 4-amino-5-cyano-6-ethoxy-N-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]pyridine-2-carboxamide?
The InChIKey is GACZCXSWSZQDBF-JTQLQIEISA-N. The full InChI is InChI=1S/C15H21N5O4S/c1-3-24-15-11(7-16)12(17)6-13(19-15)14(21)18-8-10-4-5-20(9-10)25(2,22)23/h6,10H,3-5,8-9H2,1-2H3,(H2,17,19)(H,18,21)/t10-/m0/s1.
What are the key properties of 4-amino-5-cyano-6-ethoxy-N-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]pyridine-2-carboxamide?
4-amino-5-cyano-6-ethoxy-N-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]pyridine-2-carboxamide has a molecular weight of 367.43 g/mol, XLogP of -0.05, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-cyano-6-ethoxy-N-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 66920699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).