6-cyano-N-[1-[(R)-(4-cyanophenyl)-(2-propan-2-yloxy-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyridine-3-carboxamide

C25H24N6O2S — CID 69371725

IUPAC6-cyano-N-[1-[(R)-(4-cyanophenyl)-(2-propan-2-yloxy-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyridine-3-carboxamide
SMILESCC(C)Oc1ncc([C@@H](c2ccc(C#N)cc2)N2CCC(NC(=O)c3ccc(C#N)nc3)C2)s1
InChIInChI=1S/C25H24N6O2S/c1-16(2)33-25-29-14-22(34-25)23(18-5-3-17(11-26)4-6-18)31-10-9-21(15-31)30-24(32)19-7-8-20(12-27)28-13-19/h3-8,13-14,16,21,23H,9-10,15H2,1-2H3,(H,30,32)/t21?,23-/m1/s1
InChIKeyCTAFXWRSINZQBW-JFGZAKSSSA-N
MW472.57 g/mol
LogP3.66
Rot. Bonds7

About 6-cyano-N-[1-[(R)-(4-cyanophenyl)-(2-propan-2-yloxy-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyridine-3-carboxamide

6-cyano-N-[1-[(R)-(4-cyanophenyl)-(2-propan-2-yloxy-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyridine-3-carboxamide (PubChem CID 69371725) has the molecular formula C25H24N6O2S and a molecular weight of 472.57 g/mol. Its IUPAC name is 6-cyano-N-[1-[(R)-(4-cyanophenyl)-(2-propan-2-yloxy-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-cyano-N-[1-[(R)-(4-cyanophenyl)-(2-propan-2-yloxy-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyridine-3-carboxamide
PubChem CID69371725
Molecular FormulaC25H24N6O2S
Molecular Weight472.57 g/mol
Exact Mass472.17
IUPAC Name6-cyano-N-[1-[(R)-(4-cyanophenyl)-(2-propan-2-yloxy-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyridine-3-carboxamide
SMILESCC(C)Oc1ncc([C@@H](c2ccc(C#N)cc2)N2CCC(NC(=O)c3ccc(C#N)nc3)C2)s1
InChIInChI=1S/C25H24N6O2S/c1-16(2)33-25-29-14-22(34-25)23(18-5-3-17(11-26)4-6-18)31-10-9-21(15-31)30-24(32)19-7-8-20(12-27)28-13-19/h3-8,13-14,16,21,23H,9-10,15H2,1-2H3,(H,30,32)/t21?,23-/m1/s1
InChIKeyCTAFXWRSINZQBW-JFGZAKSSSA-N
XLogP3.66
TPSA114.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.57
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-[1-[(R)-(4-cyanophenyl)-(2-propan-2-yloxy-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyridine-3-carboxamide?
The IUPAC name of 6-cyano-N-[1-[(R)-(4-cyanophenyl)-(2-propan-2-yloxy-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyridine-3-carboxamide (CID 69371725) is 6-cyano-N-[1-[(R)-(4-cyanophenyl)-(2-propan-2-yloxy-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-cyano-N-[1-[(R)-(4-cyanophenyl)-(2-propan-2-yloxy-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-cyano-N-[1-[(R)-(4-cyanophenyl)-(2-propan-2-yloxy-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyridine-3-carboxamide is CC(C)Oc1ncc([C@@H](c2ccc(C#N)cc2)N2CCC(NC(=O)c3ccc(C#N)nc3)C2)s1.
What is the InChIKey of 6-cyano-N-[1-[(R)-(4-cyanophenyl)-(2-propan-2-yloxy-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyridine-3-carboxamide?
The InChIKey is CTAFXWRSINZQBW-JFGZAKSSSA-N. The full InChI is InChI=1S/C25H24N6O2S/c1-16(2)33-25-29-14-22(34-25)23(18-5-3-17(11-26)4-6-18)31-10-9-21(15-31)30-24(32)19-7-8-20(12-27)28-13-19/h3-8,13-14,16,21,23H,9-10,15H2,1-2H3,(H,30,32)/t21?,23-/m1/s1.
What are the key properties of 6-cyano-N-[1-[(R)-(4-cyanophenyl)-(2-propan-2-yloxy-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyridine-3-carboxamide?
6-cyano-N-[1-[(R)-(4-cyanophenyl)-(2-propan-2-yloxy-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyridine-3-carboxamide has a molecular weight of 472.57 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-N-[1-[(R)-(4-cyanophenyl)-(2-propan-2-yloxy-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 69371725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).