4-(cyclopropylmethyl)-2-methyl-3-oxo-N-(thiophen-2-ylmethyl)-2H-pyrido[2,3-b]pyrazine-1-carboxamide

C18H20N4O2S — CID 46396751

IUPAC4-(cyclopropylmethyl)-2-methyl-3-oxo-N-(thiophen-2-ylmethyl)-2H-pyrido[2,3-b]pyrazine-1-carboxamide
SMILESCC1C(=O)N(CC2CC2)c2ncccc2N1C(=O)NCc1cccs1
InChIInChI=1S/C18H20N4O2S/c1-12-17(23)21(11-13-6-7-13)16-15(5-2-8-19-16)22(12)18(24)20-10-14-4-3-9-25-14/h2-5,8-9,12-13H,6-7,10-11H2,1H3,(H,20,24)
InChIKeyWCDSOHAHSNMEPP-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.00
Rot. Bonds4

About 4-(cyclopropylmethyl)-2-methyl-3-oxo-N-(thiophen-2-ylmethyl)-2H-pyrido[2,3-b]pyrazine-1-carboxamide

4-(cyclopropylmethyl)-2-methyl-3-oxo-N-(thiophen-2-ylmethyl)-2H-pyrido[2,3-b]pyrazine-1-carboxamide (PubChem CID 46396751) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)-2-methyl-3-oxo-N-(thiophen-2-ylmethyl)-2H-pyrido[2,3-b]pyrazine-1-carboxamide.

Molecular Properties

Compound Name4-(cyclopropylmethyl)-2-methyl-3-oxo-N-(thiophen-2-ylmethyl)-2H-pyrido[2,3-b]pyrazine-1-carboxamide
PubChem CID46396751
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name4-(cyclopropylmethyl)-2-methyl-3-oxo-N-(thiophen-2-ylmethyl)-2H-pyrido[2,3-b]pyrazine-1-carboxamide
SMILESCC1C(=O)N(CC2CC2)c2ncccc2N1C(=O)NCc1cccs1
InChIInChI=1S/C18H20N4O2S/c1-12-17(23)21(11-13-6-7-13)16-15(5-2-8-19-16)22(12)18(24)20-10-14-4-3-9-25-14/h2-5,8-9,12-13H,6-7,10-11H2,1H3,(H,20,24)
InChIKeyWCDSOHAHSNMEPP-UHFFFAOYSA-N
XLogP3.00
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethyl)-2-methyl-3-oxo-N-(thiophen-2-ylmethyl)-2H-pyrido[2,3-b]pyrazine-1-carboxamide?
The IUPAC name of 4-(cyclopropylmethyl)-2-methyl-3-oxo-N-(thiophen-2-ylmethyl)-2H-pyrido[2,3-b]pyrazine-1-carboxamide (CID 46396751) is 4-(cyclopropylmethyl)-2-methyl-3-oxo-N-(thiophen-2-ylmethyl)-2H-pyrido[2,3-b]pyrazine-1-carboxamide.
What is the SMILES notation for 4-(cyclopropylmethyl)-2-methyl-3-oxo-N-(thiophen-2-ylmethyl)-2H-pyrido[2,3-b]pyrazine-1-carboxamide?
The canonical SMILES for 4-(cyclopropylmethyl)-2-methyl-3-oxo-N-(thiophen-2-ylmethyl)-2H-pyrido[2,3-b]pyrazine-1-carboxamide is CC1C(=O)N(CC2CC2)c2ncccc2N1C(=O)NCc1cccs1.
What is the InChIKey of 4-(cyclopropylmethyl)-2-methyl-3-oxo-N-(thiophen-2-ylmethyl)-2H-pyrido[2,3-b]pyrazine-1-carboxamide?
The InChIKey is WCDSOHAHSNMEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-12-17(23)21(11-13-6-7-13)16-15(5-2-8-19-16)22(12)18(24)20-10-14-4-3-9-25-14/h2-5,8-9,12-13H,6-7,10-11H2,1H3,(H,20,24).
What are the key properties of 4-(cyclopropylmethyl)-2-methyl-3-oxo-N-(thiophen-2-ylmethyl)-2H-pyrido[2,3-b]pyrazine-1-carboxamide?
4-(cyclopropylmethyl)-2-methyl-3-oxo-N-(thiophen-2-ylmethyl)-2H-pyrido[2,3-b]pyrazine-1-carboxamide has a molecular weight of 356.45 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethyl)-2-methyl-3-oxo-N-(thiophen-2-ylmethyl)-2H-pyrido[2,3-b]pyrazine-1-carboxamide is sourced from PubChem (CID 46396751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).