N-(3-chloro-4-pyridinyl)pyridine-4-carboxamide

C11H8ClN3O — CID 17376731

IUPACN-(3-chloro-4-pyridinyl)pyridine-4-carboxamide
SMILESO=C(Nc1ccncc1Cl)c1ccncc1
InChIInChI=1S/C11H8ClN3O/c12-9-7-14-6-3-10(9)15-11(16)8-1-4-13-5-2-8/h1-7H,(H,14,15,16)
InChIKeyYYTMBGZDOXJUSQ-UHFFFAOYSA-N
MW233.66 g/mol
LogP2.38
Rot. Bonds2

About N-(3-chloro-4-pyridinyl)pyridine-4-carboxamide

N-(3-chloro-4-pyridinyl)pyridine-4-carboxamide (PubChem CID 17376731) has the molecular formula C11H8ClN3O and a molecular weight of 233.66 g/mol. Its IUPAC name is N-(3-chloro-4-pyridinyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-pyridinyl)pyridine-4-carboxamide
PubChem CID17376731
Molecular FormulaC11H8ClN3O
Molecular Weight233.66 g/mol
Exact Mass233.04
IUPAC NameN-(3-chloro-4-pyridinyl)pyridine-4-carboxamide
SMILESO=C(Nc1ccncc1Cl)c1ccncc1
InChIInChI=1S/C11H8ClN3O/c12-9-7-14-6-3-10(9)15-11(16)8-1-4-13-5-2-8/h1-7H,(H,14,15,16)
InChIKeyYYTMBGZDOXJUSQ-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-(3-chloro-4-pyridinyl)pyridine-4-carboxamide?
The IUPAC name of N-(3-chloro-4-pyridinyl)pyridine-4-carboxamide (CID 17376731) is N-(3-chloro-4-pyridinyl)pyridine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-pyridinyl)pyridine-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-pyridinyl)pyridine-4-carboxamide is O=C(Nc1ccncc1Cl)c1ccncc1.
What is the InChIKey of N-(3-chloro-4-pyridinyl)pyridine-4-carboxamide?
The InChIKey is YYTMBGZDOXJUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3O/c12-9-7-14-6-3-10(9)15-11(16)8-1-4-13-5-2-8/h1-7H,(H,14,15,16).
What are the key properties of N-(3-chloro-4-pyridinyl)pyridine-4-carboxamide?
N-(3-chloro-4-pyridinyl)pyridine-4-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-(3-chloro-4-pyridinyl)pyridine-4-carboxamide is sourced from PubChem (CID 17376731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).