4-oxo-N-pyridin-3-yl-3-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidine-5-carboxamide

C18H13N5O2S — CID 71035893

IUPAC4-oxo-N-pyridin-3-yl-3-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidine-5-carboxamide
SMILESO=C(Nc1cccnc1)c1csc2ncn(Cc3ccncc3)c(=O)c12
InChIInChI=1S/C18H13N5O2S/c24-16(22-13-2-1-5-20-8-13)14-10-26-17-15(14)18(25)23(11-21-17)9-12-3-6-19-7-4-12/h1-8,10-11H,9H2,(H,22,24)
InChIKeyIEKSDTDIIZPZJC-UHFFFAOYSA-N
MW363.40 g/mol
LogP2.55
Rot. Bonds4

About 4-oxo-N-pyridin-3-yl-3-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidine-5-carboxamide

4-oxo-N-pyridin-3-yl-3-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidine-5-carboxamide (PubChem CID 71035893) has the molecular formula C18H13N5O2S and a molecular weight of 363.40 g/mol. Its IUPAC name is 4-oxo-N-pyridin-3-yl-3-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-oxo-N-pyridin-3-yl-3-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidine-5-carboxamide
PubChem CID71035893
Molecular FormulaC18H13N5O2S
Molecular Weight363.40 g/mol
Exact Mass363.08
IUPAC Name4-oxo-N-pyridin-3-yl-3-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidine-5-carboxamide
SMILESO=C(Nc1cccnc1)c1csc2ncn(Cc3ccncc3)c(=O)c12
InChIInChI=1S/C18H13N5O2S/c24-16(22-13-2-1-5-20-8-13)14-10-26-17-15(14)18(25)23(11-21-17)9-12-3-6-19-7-4-12/h1-8,10-11H,9H2,(H,22,24)
InChIKeyIEKSDTDIIZPZJC-UHFFFAOYSA-N
XLogP2.55
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-N-pyridin-3-ylthieno[2,3-d]pyrimidine-5-carboxamide
CID 53210658
4-[[5-(5-methylthiophen-2-yl)-4-oxothieno[2,3-d]pyrimidin-3-yl]methyl]-N-phenylbenzamide
CID 24578025
N-(4-butylphenyl)-5-methyl-4-oxo-3-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 46300164
5-oxo-N-pyridin-3-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4606085
1-benzyl-2-oxo-N-pyridin-3-yl-1,8-naphthyridine-3-carboxamide
CID 7620300
1-[(2-chlorophenyl)methyl]-2-oxo-N-pyridin-3-ylpyridine-3-carboxamide
CID 7598532
3-benzyl-4-oxo-N-pyridin-3-ylphthalazine-1-carboxamide
CID 26592291
2-bromo-N-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 141426406
6-fluoro-1-[(4-fluorophenyl)methyl]-4-oxo-N-pyridin-3-ylquinoline-3-carboxamide
CID 110188945
N-(4-acetamidophenyl)-3-benzyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 46300340
2-ethoxy-N-pyridin-3-ylpyridine-3-carboxamide
CID 23876862
3-benzyl-6-(pyridin-3-ylamino)pyrido[3,2-d]pyrimidin-4-one
CID 134808694

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-pyridin-3-yl-3-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 4-oxo-N-pyridin-3-yl-3-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidine-5-carboxamide (CID 71035893) is 4-oxo-N-pyridin-3-yl-3-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-oxo-N-pyridin-3-yl-3-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 4-oxo-N-pyridin-3-yl-3-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidine-5-carboxamide is O=C(Nc1cccnc1)c1csc2ncn(Cc3ccncc3)c(=O)c12.
What is the InChIKey of 4-oxo-N-pyridin-3-yl-3-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is IEKSDTDIIZPZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5O2S/c24-16(22-13-2-1-5-20-8-13)14-10-26-17-15(14)18(25)23(11-21-17)9-12-3-6-19-7-4-12/h1-8,10-11H,9H2,(H,22,24).
What are the key properties of 4-oxo-N-pyridin-3-yl-3-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidine-5-carboxamide?
4-oxo-N-pyridin-3-yl-3-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 363.40 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-pyridin-3-yl-3-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 71035893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).