N,N-dimethyl-7-[(3S)-1-(pyridine-2-carbonyl)pyrrolidin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide

C19H19N5O2S — CID 125027316

IUPACN,N-dimethyl-7-[(3S)-1-(pyridine-2-carbonyl)pyrrolidin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide
SMILESCN(C)C(=O)c1sc2nccnc2c1[C@@H]1CCN(C(=O)c2ccccn2)C1
InChIInChI=1S/C19H19N5O2S/c1-23(2)19(26)16-14(15-17(27-16)22-9-8-21-15)12-6-10-24(11-12)18(25)13-5-3-4-7-20-13/h3-5,7-9,12H,6,10-11H2,1-2H3/t12-/m1/s1
InChIKeyZZWUBEQIBATTBH-GFCCVEGCSA-N
MW381.46 g/mol
LogP2.42
Rot. Bonds3

About N,N-dimethyl-7-[(3S)-1-(pyridine-2-carbonyl)pyrrolidin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide

N,N-dimethyl-7-[(3S)-1-(pyridine-2-carbonyl)pyrrolidin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide (PubChem CID 125027316) has the molecular formula C19H19N5O2S and a molecular weight of 381.46 g/mol. Its IUPAC name is N,N-dimethyl-7-[(3S)-1-(pyridine-2-carbonyl)pyrrolidin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-7-[(3S)-1-(pyridine-2-carbonyl)pyrrolidin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide
PubChem CID125027316
Molecular FormulaC19H19N5O2S
Molecular Weight381.46 g/mol
Exact Mass381.13
IUPAC NameN,N-dimethyl-7-[(3S)-1-(pyridine-2-carbonyl)pyrrolidin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide
SMILESCN(C)C(=O)c1sc2nccnc2c1[C@@H]1CCN(C(=O)c2ccccn2)C1
InChIInChI=1S/C19H19N5O2S/c1-23(2)19(26)16-14(15-17(27-16)22-9-8-21-15)12-6-10-24(11-12)18(25)13-5-3-4-7-20-13/h3-5,7-9,12H,6,10-11H2,1-2H3/t12-/m1/s1
InChIKeyZZWUBEQIBATTBH-GFCCVEGCSA-N
XLogP2.42
TPSA79.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-7-[(3S)-1-(pyridine-2-carbonyl)pyrrolidin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide?
The IUPAC name of N,N-dimethyl-7-[(3S)-1-(pyridine-2-carbonyl)pyrrolidin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide (CID 125027316) is N,N-dimethyl-7-[(3S)-1-(pyridine-2-carbonyl)pyrrolidin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide.
What is the SMILES notation for N,N-dimethyl-7-[(3S)-1-(pyridine-2-carbonyl)pyrrolidin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide?
The canonical SMILES for N,N-dimethyl-7-[(3S)-1-(pyridine-2-carbonyl)pyrrolidin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide is CN(C)C(=O)c1sc2nccnc2c1[C@@H]1CCN(C(=O)c2ccccn2)C1.
What is the InChIKey of N,N-dimethyl-7-[(3S)-1-(pyridine-2-carbonyl)pyrrolidin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide?
The InChIKey is ZZWUBEQIBATTBH-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H19N5O2S/c1-23(2)19(26)16-14(15-17(27-16)22-9-8-21-15)12-6-10-24(11-12)18(25)13-5-3-4-7-20-13/h3-5,7-9,12H,6,10-11H2,1-2H3/t12-/m1/s1.
What are the key properties of N,N-dimethyl-7-[(3S)-1-(pyridine-2-carbonyl)pyrrolidin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide?
N,N-dimethyl-7-[(3S)-1-(pyridine-2-carbonyl)pyrrolidin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide has a molecular weight of 381.46 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-7-[(3S)-1-(pyridine-2-carbonyl)pyrrolidin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide is sourced from PubChem (CID 125027316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).