N-(5-thiophen-3-yl-2-pyridinyl)pyrimidine-5-carboxamide

C14H10N4OS — CID 129240157

IUPACN-(5-thiophen-3-yl-2-pyridinyl)pyrimidine-5-carboxamide
SMILESO=C(Nc1ccc(-c2ccsc2)cn1)c1cncnc1
InChIInChI=1S/C14H10N4OS/c19-14(12-5-15-9-16-6-12)18-13-2-1-10(7-17-13)11-3-4-20-8-11/h1-9H,(H,17,18,19)
InChIKeyBAFFVRLHBOUDKW-UHFFFAOYSA-N
MW282.33 g/mol
LogP2.85
Rot. Bonds3

About N-(5-thiophen-3-yl-2-pyridinyl)pyrimidine-5-carboxamide

N-(5-thiophen-3-yl-2-pyridinyl)pyrimidine-5-carboxamide (PubChem CID 129240157) has the molecular formula C14H10N4OS and a molecular weight of 282.33 g/mol. Its IUPAC name is N-(5-thiophen-3-yl-2-pyridinyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(5-thiophen-3-yl-2-pyridinyl)pyrimidine-5-carboxamide
PubChem CID129240157
Molecular FormulaC14H10N4OS
Molecular Weight282.33 g/mol
Exact Mass282.06
IUPAC NameN-(5-thiophen-3-yl-2-pyridinyl)pyrimidine-5-carboxamide
SMILESO=C(Nc1ccc(-c2ccsc2)cn1)c1cncnc1
InChIInChI=1S/C14H10N4OS/c19-14(12-5-15-9-16-6-12)18-13-2-1-10(7-17-13)11-3-4-20-8-11/h1-9H,(H,17,18,19)
InChIKeyBAFFVRLHBOUDKW-UHFFFAOYSA-N
XLogP2.85
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-thiophen-3-yl-2-pyridinyl)pyrimidine-5-carboxamide?
The IUPAC name of N-(5-thiophen-3-yl-2-pyridinyl)pyrimidine-5-carboxamide (CID 129240157) is N-(5-thiophen-3-yl-2-pyridinyl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(5-thiophen-3-yl-2-pyridinyl)pyrimidine-5-carboxamide?
The canonical SMILES for N-(5-thiophen-3-yl-2-pyridinyl)pyrimidine-5-carboxamide is O=C(Nc1ccc(-c2ccsc2)cn1)c1cncnc1.
What is the InChIKey of N-(5-thiophen-3-yl-2-pyridinyl)pyrimidine-5-carboxamide?
The InChIKey is BAFFVRLHBOUDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4OS/c19-14(12-5-15-9-16-6-12)18-13-2-1-10(7-17-13)11-3-4-20-8-11/h1-9H,(H,17,18,19).
What are the key properties of N-(5-thiophen-3-yl-2-pyridinyl)pyrimidine-5-carboxamide?
N-(5-thiophen-3-yl-2-pyridinyl)pyrimidine-5-carboxamide has a molecular weight of 282.33 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-thiophen-3-yl-2-pyridinyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 129240157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).