N-(2,5-dichlorophenyl)-5-(pyridin-2-ylmethylamino)pyridine-3-carboxamide

C18H14Cl2N4O — CID 109235186

IUPACN-(2,5-dichlorophenyl)-5-(pyridin-2-ylmethylamino)pyridine-3-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)c1cncc(NCc2ccccn2)c1
InChIInChI=1S/C18H14Cl2N4O/c19-13-4-5-16(20)17(8-13)24-18(25)12-7-15(10-21-9-12)23-11-14-3-1-2-6-22-14/h1-10,23H,11H2,(H,24,25)
InChIKeyYKLWSIPPYIKXPO-UHFFFAOYSA-N
MW373.24 g/mol
LogP4.65
Rot. Bonds5

About N-(2,5-dichlorophenyl)-5-(pyridin-2-ylmethylamino)pyridine-3-carboxamide

N-(2,5-dichlorophenyl)-5-(pyridin-2-ylmethylamino)pyridine-3-carboxamide (PubChem CID 109235186) has the molecular formula C18H14Cl2N4O and a molecular weight of 373.24 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-5-(pyridin-2-ylmethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-5-(pyridin-2-ylmethylamino)pyridine-3-carboxamide
PubChem CID109235186
Molecular FormulaC18H14Cl2N4O
Molecular Weight373.24 g/mol
Exact Mass372.05
IUPAC NameN-(2,5-dichlorophenyl)-5-(pyridin-2-ylmethylamino)pyridine-3-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)c1cncc(NCc2ccccn2)c1
InChIInChI=1S/C18H14Cl2N4O/c19-13-4-5-16(20)17(8-13)24-18(25)12-7-15(10-21-9-12)23-11-14-3-1-2-6-22-14/h1-10,23H,11H2,(H,24,25)
InChIKeyYKLWSIPPYIKXPO-UHFFFAOYSA-N
XLogP4.65
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.24
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-5-(pyridin-2-ylmethylamino)pyridine-3-carboxamide?
The IUPAC name of N-(2,5-dichlorophenyl)-5-(pyridin-2-ylmethylamino)pyridine-3-carboxamide (CID 109235186) is N-(2,5-dichlorophenyl)-5-(pyridin-2-ylmethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-5-(pyridin-2-ylmethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-5-(pyridin-2-ylmethylamino)pyridine-3-carboxamide is O=C(Nc1cc(Cl)ccc1Cl)c1cncc(NCc2ccccn2)c1.
What is the InChIKey of N-(2,5-dichlorophenyl)-5-(pyridin-2-ylmethylamino)pyridine-3-carboxamide?
The InChIKey is YKLWSIPPYIKXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N4O/c19-13-4-5-16(20)17(8-13)24-18(25)12-7-15(10-21-9-12)23-11-14-3-1-2-6-22-14/h1-10,23H,11H2,(H,24,25).
What are the key properties of N-(2,5-dichlorophenyl)-5-(pyridin-2-ylmethylamino)pyridine-3-carboxamide?
N-(2,5-dichlorophenyl)-5-(pyridin-2-ylmethylamino)pyridine-3-carboxamide has a molecular weight of 373.24 g/mol, XLogP of 4.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-5-(pyridin-2-ylmethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109235186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).