N-(5-chloro-2-pyridinyl)pyridine-2-carboxamide

C11H8ClN3O — CID 3421108

IUPACN-(5-chloro-2-pyridinyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)c1ccccn1
InChIInChI=1S/C11H8ClN3O/c12-8-4-5-10(14-7-8)15-11(16)9-3-1-2-6-13-9/h1-7H,(H,14,15,16)
InChIKeyLPYMWTDEHFLVPW-UHFFFAOYSA-N
MW233.66 g/mol
LogP2.38
Rot. Bonds2

About N-(5-chloro-2-pyridinyl)pyridine-2-carboxamide

N-(5-chloro-2-pyridinyl)pyridine-2-carboxamide (PubChem CID 3421108) has the molecular formula C11H8ClN3O and a molecular weight of 233.66 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)pyridine-2-carboxamide
PubChem CID3421108
Molecular FormulaC11H8ClN3O
Molecular Weight233.66 g/mol
Exact Mass233.04
IUPAC NameN-(5-chloro-2-pyridinyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)c1ccccn1
InChIInChI=1S/C11H8ClN3O/c12-8-4-5-10(14-7-8)15-11(16)9-3-1-2-6-13-9/h1-7H,(H,14,15,16)
InChIKeyLPYMWTDEHFLVPW-UHFFFAOYSA-N
XLogP2.38
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.66
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)pyridine-2-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)pyridine-2-carboxamide (CID 3421108) is N-(5-chloro-2-pyridinyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)pyridine-2-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)pyridine-2-carboxamide is O=C(Nc1ccc(Cl)cn1)c1ccccn1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)pyridine-2-carboxamide?
The InChIKey is LPYMWTDEHFLVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3O/c12-8-4-5-10(14-7-8)15-11(16)9-3-1-2-6-13-9/h1-7H,(H,14,15,16).
What are the key properties of N-(5-chloro-2-pyridinyl)pyridine-2-carboxamide?
N-(5-chloro-2-pyridinyl)pyridine-2-carboxamide has a molecular weight of 233.66 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)pyridine-2-carboxamide is sourced from PubChem (CID 3421108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).