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

C26H30N6O2S — CID 58503955

IUPAC4-amino-5-cyano-6-ethoxy-N-[[1-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]piperidin-4-yl]methyl]pyridine-2-carboxamide
SMILESCCOc1nc(C(=O)NCC2CCN(Cc3ccc(-c4csc(C)n4)cc3)CC2)cc(N)c1C#N
InChIInChI=1S/C26H30N6O2S/c1-3-34-26-21(13-27)22(28)12-23(31-26)25(33)29-14-18-8-10-32(11-9-18)15-19-4-6-20(7-5-19)24-16-35-17(2)30-24/h4-7,12,16,18H,3,8-11,14-15H2,1-2H3,(H2,28,31)(H,29,33)
InChIKeyIJVJQPRGQZHLDC-UHFFFAOYSA-N
MW490.63 g/mol
LogP4.01
Rot. Bonds8

About 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

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 (PubChem CID 58503955) has the molecular formula C26H30N6O2S and a molecular weight of 490.63 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-amino-5-cyano-6-ethoxy-N-[[1-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]piperidin-4-yl]methyl]pyridine-2-carboxamide
PubChem CID58503955
Molecular FormulaC26H30N6O2S
Molecular Weight490.63 g/mol
Exact Mass490.22
IUPAC Name4-amino-5-cyano-6-ethoxy-N-[[1-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]piperidin-4-yl]methyl]pyridine-2-carboxamide
SMILESCCOc1nc(C(=O)NCC2CCN(Cc3ccc(-c4csc(C)n4)cc3)CC2)cc(N)c1C#N
InChIInChI=1S/C26H30N6O2S/c1-3-34-26-21(13-27)22(28)12-23(31-26)25(33)29-14-18-8-10-32(11-9-18)15-19-4-6-20(7-5-19)24-16-35-17(2)30-24/h4-7,12,16,18H,3,8-11,14-15H2,1-2H3,(H2,28,31)(H,29,33)
InChIKeyIJVJQPRGQZHLDC-UHFFFAOYSA-N
XLogP4.01
TPSA117.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.63
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCOc1nc(C(=O)NCC2CCN(Cc3ccc(-c4csc(C)n4)cc3)CC2)cc(N)c1C#N.
What is the InChIKey of 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?
The InChIKey is IJVJQPRGQZHLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O2S/c1-3-34-26-21(13-27)22(28)12-23(31-26)25(33)29-14-18-8-10-32(11-9-18)15-19-4-6-20(7-5-19)24-16-35-17(2)30-24/h4-7,12,16,18H,3,8-11,14-15H2,1-2H3,(H2,28,31)(H,29,33).
What are the key properties of 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?
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 has a molecular weight of 490.63 g/mol, XLogP of 4.01, 8 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-[[1-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]piperidin-4-yl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 58503955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).