N-(5-pyridin-2-yl-2-pyridinyl)pyrimidine-5-carboxamide

C15H11N5O — CID 129240180

IUPACN-(5-pyridin-2-yl-2-pyridinyl)pyrimidine-5-carboxamide
SMILESO=C(Nc1ccc(-c2ccccn2)cn1)c1cncnc1
InChIInChI=1S/C15H11N5O/c21-15(12-7-16-10-17-8-12)20-14-5-4-11(9-19-14)13-3-1-2-6-18-13/h1-10H,(H,19,20,21)
InChIKeyCPGAPXQAJVBUDJ-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.19
Rot. Bonds3

About N-(5-pyridin-2-yl-2-pyridinyl)pyrimidine-5-carboxamide

N-(5-pyridin-2-yl-2-pyridinyl)pyrimidine-5-carboxamide (PubChem CID 129240180) has the molecular formula C15H11N5O and a molecular weight of 277.29 g/mol. Its IUPAC name is N-(5-pyridin-2-yl-2-pyridinyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(5-pyridin-2-yl-2-pyridinyl)pyrimidine-5-carboxamide
PubChem CID129240180
Molecular FormulaC15H11N5O
Molecular Weight277.29 g/mol
Exact Mass277.10
IUPAC NameN-(5-pyridin-2-yl-2-pyridinyl)pyrimidine-5-carboxamide
SMILESO=C(Nc1ccc(-c2ccccn2)cn1)c1cncnc1
InChIInChI=1S/C15H11N5O/c21-15(12-7-16-10-17-8-12)20-14-5-4-11(9-19-14)13-3-1-2-6-18-13/h1-10H,(H,19,20,21)
InChIKeyCPGAPXQAJVBUDJ-UHFFFAOYSA-N
XLogP2.19
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-pyridin-2-yl-2-pyridinyl)pyrimidine-5-carboxamide?
The IUPAC name of N-(5-pyridin-2-yl-2-pyridinyl)pyrimidine-5-carboxamide (CID 129240180) is N-(5-pyridin-2-yl-2-pyridinyl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(5-pyridin-2-yl-2-pyridinyl)pyrimidine-5-carboxamide?
The canonical SMILES for N-(5-pyridin-2-yl-2-pyridinyl)pyrimidine-5-carboxamide is O=C(Nc1ccc(-c2ccccn2)cn1)c1cncnc1.
What is the InChIKey of N-(5-pyridin-2-yl-2-pyridinyl)pyrimidine-5-carboxamide?
The InChIKey is CPGAPXQAJVBUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5O/c21-15(12-7-16-10-17-8-12)20-14-5-4-11(9-19-14)13-3-1-2-6-18-13/h1-10H,(H,19,20,21).
What are the key properties of N-(5-pyridin-2-yl-2-pyridinyl)pyrimidine-5-carboxamide?
N-(5-pyridin-2-yl-2-pyridinyl)pyrimidine-5-carboxamide has a molecular weight of 277.29 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-pyridin-2-yl-2-pyridinyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 129240180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).