N,6-dimethyl-5-[4-[(3-methyl-2-oxo-1H-thieno[2,3-b]pyrazin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide

C20H24N6O2S — CID 171484069

IUPACN,6-dimethyl-5-[4-[(3-methyl-2-oxo-1H-thieno[2,3-b]pyrazin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2CCN(Cc3cc4[nH]c(=O)c(C)nc4s3)CC2)c(C)n1
InChIInChI=1S/C20H24N6O2S/c1-12-17(5-4-15(22-12)19(28)21-3)26-8-6-25(7-9-26)11-14-10-16-20(29-14)23-13(2)18(27)24-16/h4-5,10H,6-9,11H2,1-3H3,(H,21,28)(H,24,27)
InChIKeyVYJSZZKWDYFJGJ-UHFFFAOYSA-N
MW412.52 g/mol
LogP1.68
Rot. Bonds4

About N,6-dimethyl-5-[4-[(3-methyl-2-oxo-1H-thieno[2,3-b]pyrazin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide

N,6-dimethyl-5-[4-[(3-methyl-2-oxo-1H-thieno[2,3-b]pyrazin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide (PubChem CID 171484069) has the molecular formula C20H24N6O2S and a molecular weight of 412.52 g/mol. Its IUPAC name is N,6-dimethyl-5-[4-[(3-methyl-2-oxo-1H-thieno[2,3-b]pyrazin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN,6-dimethyl-5-[4-[(3-methyl-2-oxo-1H-thieno[2,3-b]pyrazin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
PubChem CID171484069
Molecular FormulaC20H24N6O2S
Molecular Weight412.52 g/mol
Exact Mass412.17
IUPAC NameN,6-dimethyl-5-[4-[(3-methyl-2-oxo-1H-thieno[2,3-b]pyrazin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2CCN(Cc3cc4[nH]c(=O)c(C)nc4s3)CC2)c(C)n1
InChIInChI=1S/C20H24N6O2S/c1-12-17(5-4-15(22-12)19(28)21-3)26-8-6-25(7-9-26)11-14-10-16-20(29-14)23-13(2)18(27)24-16/h4-5,10H,6-9,11H2,1-3H3,(H,21,28)(H,24,27)
InChIKeyVYJSZZKWDYFJGJ-UHFFFAOYSA-N
XLogP1.68
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N,6-dimethyl-5-[4-[(6-oxo-7,9-dihydro-5H-furo[3,4-c][1,5]naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 171572872
N,6-dimethyl-5-[4-[(6-oxo-5,7,8,9-tetrahydrocyclopenta[c][1,6]naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 168957372
N,6-dimethyl-5-[4-[(4-oxo-5H-[1,2]thiazolo[5,4-c]quinolin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 172560181
N,6-dimethyl-5-[4-[(2-methyl-4-oxo-3,5-dihydro-1H-pyrrolo[3,4-c]quinolin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 172560176
5-[4-[[2-[(5-chloro-6-oxo-1H-pyrimidin-2-yl)amino]-4-pyridinyl]methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide
CID 177246112
6-chloro-5-[4-[(2,5-dimethyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 162524577
5-[4-[(2,5-dimethyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-6-methyl-N-(trideuteriomethyl)pyridine-2-carboxamide
CID 175850878
N,6-dimethyl-5-[4-[(3-methyl-2-oxospiro[1H-quinazoline-4,1'-cyclopropane]-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 171444818
N-(2-hydroxyethyl)-5-[4-[(7-methoxy-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide
CID 175560156
5-[4-[(6-fluoro-2-methyl-4-oxo-3,5-dihydro-1H-pyrrolo[3,4-c]quinolin-7-yl)methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide
CID 172560072
6-chloro-5-[4-[(3-ethyl-2-oxo-1H-1,6-naphthyridin-7-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 155586931
6-methyl-5-[4-[(3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-(trideuteriomethyl)pyridine-2-carboxamide
CID 175850852

Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-5-[4-[(3-methyl-2-oxo-1H-thieno[2,3-b]pyrazin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide?
The IUPAC name of N,6-dimethyl-5-[4-[(3-methyl-2-oxo-1H-thieno[2,3-b]pyrazin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide (CID 171484069) is N,6-dimethyl-5-[4-[(3-methyl-2-oxo-1H-thieno[2,3-b]pyrazin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for N,6-dimethyl-5-[4-[(3-methyl-2-oxo-1H-thieno[2,3-b]pyrazin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide?
The canonical SMILES for N,6-dimethyl-5-[4-[(3-methyl-2-oxo-1H-thieno[2,3-b]pyrazin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide is CNC(=O)c1ccc(N2CCN(Cc3cc4[nH]c(=O)c(C)nc4s3)CC2)c(C)n1.
What is the InChIKey of N,6-dimethyl-5-[4-[(3-methyl-2-oxo-1H-thieno[2,3-b]pyrazin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide?
The InChIKey is VYJSZZKWDYFJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2S/c1-12-17(5-4-15(22-12)19(28)21-3)26-8-6-25(7-9-26)11-14-10-16-20(29-14)23-13(2)18(27)24-16/h4-5,10H,6-9,11H2,1-3H3,(H,21,28)(H,24,27).
What are the key properties of N,6-dimethyl-5-[4-[(3-methyl-2-oxo-1H-thieno[2,3-b]pyrazin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide?
N,6-dimethyl-5-[4-[(3-methyl-2-oxo-1H-thieno[2,3-b]pyrazin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide has a molecular weight of 412.52 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-5-[4-[(3-methyl-2-oxo-1H-thieno[2,3-b]pyrazin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 171484069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).