N-methyl-7-[(3R)-1-(6-methylpyridine-2-carbonyl)pyrrolidin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide

C19H19N5O2S — CID 124973136

IUPACN-methyl-7-[(3R)-1-(6-methylpyridine-2-carbonyl)pyrrolidin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide
SMILESCNC(=O)c1sc2nccnc2c1[C@H]1CCN(C(=O)c2cccc(C)n2)C1
InChIInChI=1S/C19H19N5O2S/c1-11-4-3-5-13(23-11)19(26)24-9-6-12(10-24)14-15-18(22-8-7-21-15)27-16(14)17(25)20-2/h3-5,7-8,12H,6,9-10H2,1-2H3,(H,20,25)/t12-/m0/s1
InChIKeyKICSLTCCSPWVAO-LBPRGKRZSA-N
MW381.46 g/mol
LogP2.38
Rot. Bonds3

About N-methyl-7-[(3R)-1-(6-methylpyridine-2-carbonyl)pyrrolidin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide

N-methyl-7-[(3R)-1-(6-methylpyridine-2-carbonyl)pyrrolidin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide (PubChem CID 124973136) has the molecular formula C19H19N5O2S and a molecular weight of 381.46 g/mol. Its IUPAC name is N-methyl-7-[(3R)-1-(6-methylpyridine-2-carbonyl)pyrrolidin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide.

Molecular Properties

Compound NameN-methyl-7-[(3R)-1-(6-methylpyridine-2-carbonyl)pyrrolidin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide
PubChem CID124973136
Molecular FormulaC19H19N5O2S
Molecular Weight381.46 g/mol
Exact Mass381.13
IUPAC NameN-methyl-7-[(3R)-1-(6-methylpyridine-2-carbonyl)pyrrolidin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide
SMILESCNC(=O)c1sc2nccnc2c1[C@H]1CCN(C(=O)c2cccc(C)n2)C1
InChIInChI=1S/C19H19N5O2S/c1-11-4-3-5-13(23-11)19(26)24-9-6-12(10-24)14-15-18(22-8-7-21-15)27-16(14)17(25)20-2/h3-5,7-8,12H,6,9-10H2,1-2H3,(H,20,25)/t12-/m0/s1
InChIKeyKICSLTCCSPWVAO-LBPRGKRZSA-N
XLogP2.38
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-7-[(3R)-1-(6-methylpyridine-2-carbonyl)pyrrolidin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide?
The IUPAC name of N-methyl-7-[(3R)-1-(6-methylpyridine-2-carbonyl)pyrrolidin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide (CID 124973136) is N-methyl-7-[(3R)-1-(6-methylpyridine-2-carbonyl)pyrrolidin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide.
What is the SMILES notation for N-methyl-7-[(3R)-1-(6-methylpyridine-2-carbonyl)pyrrolidin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide?
The canonical SMILES for N-methyl-7-[(3R)-1-(6-methylpyridine-2-carbonyl)pyrrolidin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide is CNC(=O)c1sc2nccnc2c1[C@H]1CCN(C(=O)c2cccc(C)n2)C1.
What is the InChIKey of N-methyl-7-[(3R)-1-(6-methylpyridine-2-carbonyl)pyrrolidin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide?
The InChIKey is KICSLTCCSPWVAO-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H19N5O2S/c1-11-4-3-5-13(23-11)19(26)24-9-6-12(10-24)14-15-18(22-8-7-21-15)27-16(14)17(25)20-2/h3-5,7-8,12H,6,9-10H2,1-2H3,(H,20,25)/t12-/m0/s1.
What are the key properties of N-methyl-7-[(3R)-1-(6-methylpyridine-2-carbonyl)pyrrolidin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide?
N-methyl-7-[(3R)-1-(6-methylpyridine-2-carbonyl)pyrrolidin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide has a molecular weight of 381.46 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-7-[(3R)-1-(6-methylpyridine-2-carbonyl)pyrrolidin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide is sourced from PubChem (CID 124973136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).