4-chloro-N-[6-(dimethylamino)-2-pyridinyl]pyridine-2-carboxamide

C13H13ClN4O — CID 75501648

IUPAC4-chloro-N-[6-(dimethylamino)-2-pyridinyl]pyridine-2-carboxamide
SMILESCN(C)c1cccc(NC(=O)c2cc(Cl)ccn2)n1
InChIInChI=1S/C13H13ClN4O/c1-18(2)12-5-3-4-11(16-12)17-13(19)10-8-9(14)6-7-15-10/h3-8H,1-2H3,(H,16,17,19)
InChIKeyPOENRTLTAXHDJK-UHFFFAOYSA-N
MW276.73 g/mol
LogP2.45
Rot. Bonds3

About 4-chloro-N-[6-(dimethylamino)-2-pyridinyl]pyridine-2-carboxamide

4-chloro-N-[6-(dimethylamino)-2-pyridinyl]pyridine-2-carboxamide (PubChem CID 75501648) has the molecular formula C13H13ClN4O and a molecular weight of 276.73 g/mol. Its IUPAC name is 4-chloro-N-[6-(dimethylamino)-2-pyridinyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[6-(dimethylamino)-2-pyridinyl]pyridine-2-carboxamide
PubChem CID75501648
Molecular FormulaC13H13ClN4O
Molecular Weight276.73 g/mol
Exact Mass276.08
IUPAC Name4-chloro-N-[6-(dimethylamino)-2-pyridinyl]pyridine-2-carboxamide
SMILESCN(C)c1cccc(NC(=O)c2cc(Cl)ccn2)n1
InChIInChI=1S/C13H13ClN4O/c1-18(2)12-5-3-4-11(16-12)17-13(19)10-8-9(14)6-7-15-10/h3-8H,1-2H3,(H,16,17,19)
InChIKeyPOENRTLTAXHDJK-UHFFFAOYSA-N
XLogP2.45
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.73
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[6-(dimethylamino)-2-pyridinyl]pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-[6-(dimethylamino)-2-pyridinyl]pyridine-2-carboxamide (CID 75501648) is 4-chloro-N-[6-(dimethylamino)-2-pyridinyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[6-(dimethylamino)-2-pyridinyl]pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-[6-(dimethylamino)-2-pyridinyl]pyridine-2-carboxamide is CN(C)c1cccc(NC(=O)c2cc(Cl)ccn2)n1.
What is the InChIKey of 4-chloro-N-[6-(dimethylamino)-2-pyridinyl]pyridine-2-carboxamide?
The InChIKey is POENRTLTAXHDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O/c1-18(2)12-5-3-4-11(16-12)17-13(19)10-8-9(14)6-7-15-10/h3-8H,1-2H3,(H,16,17,19).
What are the key properties of 4-chloro-N-[6-(dimethylamino)-2-pyridinyl]pyridine-2-carboxamide?
4-chloro-N-[6-(dimethylamino)-2-pyridinyl]pyridine-2-carboxamide has a molecular weight of 276.73 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[6-(dimethylamino)-2-pyridinyl]pyridine-2-carboxamide is sourced from PubChem (CID 75501648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).