4-acetyl-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]thiophene-2-carboxamide

C17H20N4O2S — CID 166201009

IUPAC4-acetyl-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]thiophene-2-carboxamide
SMILESCC(=O)c1csc(C(=O)NCc2cc(C)nc(N3CCCC3)n2)c1
InChIInChI=1S/C17H20N4O2S/c1-11-7-14(20-17(19-11)21-5-3-4-6-21)9-18-16(23)15-8-13(10-24-15)12(2)22/h7-8,10H,3-6,9H2,1-2H3,(H,18,23)
InChIKeyGAFVSPNLFBRZKK-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.58
Rot. Bonds5

About 4-acetyl-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]thiophene-2-carboxamide

4-acetyl-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]thiophene-2-carboxamide (PubChem CID 166201009) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is 4-acetyl-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]thiophene-2-carboxamide
PubChem CID166201009
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC Name4-acetyl-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]thiophene-2-carboxamide
SMILESCC(=O)c1csc(C(=O)NCc2cc(C)nc(N3CCCC3)n2)c1
InChIInChI=1S/C17H20N4O2S/c1-11-7-14(20-17(19-11)21-5-3-4-6-21)9-18-16(23)15-8-13(10-24-15)12(2)22/h7-8,10H,3-6,9H2,1-2H3,(H,18,23)
InChIKeyGAFVSPNLFBRZKK-UHFFFAOYSA-N
XLogP2.58
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(dimethylamino)-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 122352419
N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]cyclobutanecarboxamide
CID 122352828
2-(2-chlorophenyl)-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]acetamide
CID 122352355
2,4-dichloro-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 122352644
5-bromo-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]furan-2-carboxamide
CID 72718310
3,3,3-trifluoro-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]propanamide
CID 122352907
2-(4-methoxyphenyl)-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]acetamide
CID 72718286
1-methyl-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 122352897
3-fluoro-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]pyridine-4-carboxamide
CID 122352933
4-methyl-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-carboxamide
CID 122255088
N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-3-(tetrazol-1-yl)benzamide
CID 122352474
4-[[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methylamino]methyl]benzoic acid
CID 122034691

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of 4-acetyl-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]thiophene-2-carboxamide (CID 166201009) is 4-acetyl-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 4-acetyl-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]thiophene-2-carboxamide is CC(=O)c1csc(C(=O)NCc2cc(C)nc(N3CCCC3)n2)c1.
What is the InChIKey of 4-acetyl-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]thiophene-2-carboxamide?
The InChIKey is GAFVSPNLFBRZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-11-7-14(20-17(19-11)21-5-3-4-6-21)9-18-16(23)15-8-13(10-24-15)12(2)22/h7-8,10H,3-6,9H2,1-2H3,(H,18,23).
What are the key properties of 4-acetyl-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]thiophene-2-carboxamide?
4-acetyl-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]thiophene-2-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 166201009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).