N-[5-(3-chlorophenyl)-2-pyridinyl]pyrimidine-5-carboxamide

C16H11ClN4O — CID 129240156

IUPACN-[5-(3-chlorophenyl)-2-pyridinyl]pyrimidine-5-carboxamide
SMILESO=C(Nc1ccc(-c2cccc(Cl)c2)cn1)c1cncnc1
InChIInChI=1S/C16H11ClN4O/c17-14-3-1-2-11(6-14)12-4-5-15(20-9-12)21-16(22)13-7-18-10-19-8-13/h1-10H,(H,20,21,22)
InChIKeyJJPGFAPASJAEGN-UHFFFAOYSA-N
MW310.74 g/mol
LogP3.44
Rot. Bonds3

About N-[5-(3-chlorophenyl)-2-pyridinyl]pyrimidine-5-carboxamide

N-[5-(3-chlorophenyl)-2-pyridinyl]pyrimidine-5-carboxamide (PubChem CID 129240156) has the molecular formula C16H11ClN4O and a molecular weight of 310.74 g/mol. Its IUPAC name is N-[5-(3-chlorophenyl)-2-pyridinyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[5-(3-chlorophenyl)-2-pyridinyl]pyrimidine-5-carboxamide
PubChem CID129240156
Molecular FormulaC16H11ClN4O
Molecular Weight310.74 g/mol
Exact Mass310.06
IUPAC NameN-[5-(3-chlorophenyl)-2-pyridinyl]pyrimidine-5-carboxamide
SMILESO=C(Nc1ccc(-c2cccc(Cl)c2)cn1)c1cncnc1
InChIInChI=1S/C16H11ClN4O/c17-14-3-1-2-11(6-14)12-4-5-15(20-9-12)21-16(22)13-7-18-10-19-8-13/h1-10H,(H,20,21,22)
InChIKeyJJPGFAPASJAEGN-UHFFFAOYSA-N
XLogP3.44
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.74
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3-chlorophenyl)-2-pyridinyl]pyrimidine-5-carboxamide?
The IUPAC name of N-[5-(3-chlorophenyl)-2-pyridinyl]pyrimidine-5-carboxamide (CID 129240156) is N-[5-(3-chlorophenyl)-2-pyridinyl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[5-(3-chlorophenyl)-2-pyridinyl]pyrimidine-5-carboxamide?
The canonical SMILES for N-[5-(3-chlorophenyl)-2-pyridinyl]pyrimidine-5-carboxamide is O=C(Nc1ccc(-c2cccc(Cl)c2)cn1)c1cncnc1.
What is the InChIKey of N-[5-(3-chlorophenyl)-2-pyridinyl]pyrimidine-5-carboxamide?
The InChIKey is JJPGFAPASJAEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN4O/c17-14-3-1-2-11(6-14)12-4-5-15(20-9-12)21-16(22)13-7-18-10-19-8-13/h1-10H,(H,20,21,22).
What are the key properties of N-[5-(3-chlorophenyl)-2-pyridinyl]pyrimidine-5-carboxamide?
N-[5-(3-chlorophenyl)-2-pyridinyl]pyrimidine-5-carboxamide has a molecular weight of 310.74 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-chlorophenyl)-2-pyridinyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 129240156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).