N-pyrazin-2-yl-6-[(2R)-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]pyridine-2-carboxamide

C18H18N6OS — CID 124953425

IUPACN-pyrazin-2-yl-6-[(2R)-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]pyridine-2-carboxamide
SMILESO=C(Nc1cnccn1)c1cccc([C@H]2CCCN2Cc2cncs2)n1
InChIInChI=1S/C18H18N6OS/c25-18(23-17-10-19-6-7-21-17)15-4-1-3-14(22-15)16-5-2-8-24(16)11-13-9-20-12-26-13/h1,3-4,6-7,9-10,12,16H,2,5,8,11H2,(H,21,23,25)/t16-/m1/s1
InChIKeyDVDYJFSEXZSOQJ-MRXNPFEDSA-N
MW366.45 g/mol
LogP2.92
Rot. Bonds5

About N-pyrazin-2-yl-6-[(2R)-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]pyridine-2-carboxamide

N-pyrazin-2-yl-6-[(2R)-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]pyridine-2-carboxamide (PubChem CID 124953425) has the molecular formula C18H18N6OS and a molecular weight of 366.45 g/mol. Its IUPAC name is N-pyrazin-2-yl-6-[(2R)-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-pyrazin-2-yl-6-[(2R)-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]pyridine-2-carboxamide
PubChem CID124953425
Molecular FormulaC18H18N6OS
Molecular Weight366.45 g/mol
Exact Mass366.13
IUPAC NameN-pyrazin-2-yl-6-[(2R)-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]pyridine-2-carboxamide
SMILESO=C(Nc1cnccn1)c1cccc([C@H]2CCCN2Cc2cncs2)n1
InChIInChI=1S/C18H18N6OS/c25-18(23-17-10-19-6-7-21-17)15-4-1-3-14(22-15)16-5-2-8-24(16)11-13-9-20-12-26-13/h1,3-4,6-7,9-10,12,16H,2,5,8,11H2,(H,21,23,25)/t16-/m1/s1
InChIKeyDVDYJFSEXZSOQJ-MRXNPFEDSA-N
XLogP2.92
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-pyrazin-2-yl-6-[(2R)-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]pyridine-2-carboxamide?
The IUPAC name of N-pyrazin-2-yl-6-[(2R)-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]pyridine-2-carboxamide (CID 124953425) is N-pyrazin-2-yl-6-[(2R)-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-pyrazin-2-yl-6-[(2R)-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]pyridine-2-carboxamide?
The canonical SMILES for N-pyrazin-2-yl-6-[(2R)-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]pyridine-2-carboxamide is O=C(Nc1cnccn1)c1cccc([C@H]2CCCN2Cc2cncs2)n1.
What is the InChIKey of N-pyrazin-2-yl-6-[(2R)-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]pyridine-2-carboxamide?
The InChIKey is DVDYJFSEXZSOQJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H18N6OS/c25-18(23-17-10-19-6-7-21-17)15-4-1-3-14(22-15)16-5-2-8-24(16)11-13-9-20-12-26-13/h1,3-4,6-7,9-10,12,16H,2,5,8,11H2,(H,21,23,25)/t16-/m1/s1.
What are the key properties of N-pyrazin-2-yl-6-[(2R)-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]pyridine-2-carboxamide?
N-pyrazin-2-yl-6-[(2R)-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]pyridine-2-carboxamide has a molecular weight of 366.45 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrazin-2-yl-6-[(2R)-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 124953425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).