4-[(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)amino]-N-(thiophen-2-ylmethyl)benzamide

C20H17N5O2S — CID 11200159

IUPAC4-[(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)amino]-N-(thiophen-2-ylmethyl)benzamide
SMILESCn1c(=O)c(Nc2ccc(C(=O)NCc3cccs3)cc2)nc2cccnc21
InChIInChI=1S/C20H17N5O2S/c1-25-18-16(5-2-10-21-18)24-17(20(25)27)23-14-8-6-13(7-9-14)19(26)22-12-15-4-3-11-28-15/h2-11H,12H2,1H3,(H,22,26)(H,23,24)
InChIKeyYUGYYQVBTSNCOK-UHFFFAOYSA-N
MW391.46 g/mol
LogP3.06
Rot. Bonds5

About 4-[(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)amino]-N-(thiophen-2-ylmethyl)benzamide

4-[(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)amino]-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 11200159) has the molecular formula C20H17N5O2S and a molecular weight of 391.46 g/mol. Its IUPAC name is 4-[(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)amino]-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)amino]-N-(thiophen-2-ylmethyl)benzamide
PubChem CID11200159
Molecular FormulaC20H17N5O2S
Molecular Weight391.46 g/mol
Exact Mass391.11
IUPAC Name4-[(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)amino]-N-(thiophen-2-ylmethyl)benzamide
SMILESCn1c(=O)c(Nc2ccc(C(=O)NCc3cccs3)cc2)nc2cccnc21
InChIInChI=1S/C20H17N5O2S/c1-25-18-16(5-2-10-21-18)24-17(20(25)27)23-14-8-6-13(7-9-14)19(26)22-12-15-4-3-11-28-15/h2-11H,12H2,1H3,(H,22,26)(H,23,24)
InChIKeyYUGYYQVBTSNCOK-UHFFFAOYSA-N
XLogP3.06
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.46
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

8-ethyl-2-(phenylamino)-6-(thiophen-3-yl)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5328648
8-methyl-2-(phenylamino)-6-(thiophen-3-yl)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5328638
8-methyl-2-(phenylamino)-6-(thiophen-2-yl)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5328645
N-(2-amino-5-(thiophen-2-yl)phenyl)-6-(1-oxo-2,7-diazaspiro[3.5]nonan-7-yl)nicotinamide
CID 44590208
Thiophene-2-carboxylic acid [5-(2,2-dimethyl-propionylamino)-4-methyl-pyridin-2-yl]-amide
CID 1449124
Thiophene-2-carboxylic acid (5-isobutyrylamino-4-methyl-pyridin-2-yl)-amide
CID 1449519
5-ethyl-4-methyl-N-(3-methyl-2-pyridinyl)thiophene-2-carboxamide
CID 4789493
5-methyl-N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 18106826
5-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 18106919
5-methyl-N-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 18107039
N-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 18107042
4-acetamido-N-[4-(pyridin-2-yl)-1,3-thiazol-2-yl]benzamide
CID 2460890

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)amino]-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 4-[(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)amino]-N-(thiophen-2-ylmethyl)benzamide (CID 11200159) is 4-[(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)amino]-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)amino]-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 4-[(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)amino]-N-(thiophen-2-ylmethyl)benzamide is Cn1c(=O)c(Nc2ccc(C(=O)NCc3cccs3)cc2)nc2cccnc21.
What is the InChIKey of 4-[(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)amino]-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is YUGYYQVBTSNCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2S/c1-25-18-16(5-2-10-21-18)24-17(20(25)27)23-14-8-6-13(7-9-14)19(26)22-12-15-4-3-11-28-15/h2-11H,12H2,1H3,(H,22,26)(H,23,24).
What are the key properties of 4-[(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)amino]-N-(thiophen-2-ylmethyl)benzamide?
4-[(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)amino]-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 391.46 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)amino]-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 11200159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).