N-(3,4-dichlorophenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide

C18H14Cl2N4O — CID 109171792

IUPACN-(3,4-dichlorophenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1ccnc(NCc2ccccn2)c1
InChIInChI=1S/C18H14Cl2N4O/c19-15-5-4-13(10-16(15)20)24-18(25)12-6-8-22-17(9-12)23-11-14-3-1-2-7-21-14/h1-10H,11H2,(H,22,23)(H,24,25)
InChIKeyROEIWJAAYNJFQP-UHFFFAOYSA-N
MW373.24 g/mol
LogP4.65
Rot. Bonds5

About N-(3,4-dichlorophenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide

N-(3,4-dichlorophenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide (PubChem CID 109171792) has the molecular formula C18H14Cl2N4O and a molecular weight of 373.24 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide
PubChem CID109171792
Molecular FormulaC18H14Cl2N4O
Molecular Weight373.24 g/mol
Exact Mass372.05
IUPAC NameN-(3,4-dichlorophenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1ccnc(NCc2ccccn2)c1
InChIInChI=1S/C18H14Cl2N4O/c19-15-5-4-13(10-16(15)20)24-18(25)12-6-8-22-17(9-12)23-11-14-3-1-2-7-21-14/h1-10H,11H2,(H,22,23)(H,24,25)
InChIKeyROEIWJAAYNJFQP-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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Related Compounds

N-(4-acetamidophenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide
CID 109171770
N-(4-tert-butylphenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide
CID 109171748
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide
CID 109171786
N-(4-ethoxyphenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide
CID 109171760
N-(3,4-dichlorophenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109307006
N-(2-chloro-4,6-dimethylphenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide
CID 109171754
N-(3,4-dichlorophenyl)-2-[(4-fluorophenyl)methylamino]pyridine-4-carboxamide
CID 109170705
N-(4-chlorophenyl)-2-[(2-chlorophenyl)methylamino]pyridine-4-carboxamide
CID 109170825
N-(3-chloro-4-fluorophenyl)-2-[(2-methylphenyl)methylamino]pyridine-4-carboxamide
CID 109169709
N-(4-acetylphenyl)-2-[(2-chlorophenyl)methylamino]pyridine-4-carboxamide
CID 109170839
N-(3-chloro-4-methoxyphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109258745
N-(3-chloro-4-methoxyphenyl)-2-[(2-methylphenyl)methylamino]pyridine-4-carboxamide
CID 109169710

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide (CID 109171792) is N-(3,4-dichlorophenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide is O=C(Nc1ccc(Cl)c(Cl)c1)c1ccnc(NCc2ccccn2)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide?
The InChIKey is ROEIWJAAYNJFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N4O/c19-15-5-4-13(10-16(15)20)24-18(25)12-6-8-22-17(9-12)23-11-14-3-1-2-7-21-14/h1-10H,11H2,(H,22,23)(H,24,25).
What are the key properties of N-(3,4-dichlorophenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide?
N-(3,4-dichlorophenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-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-(3,4-dichlorophenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide is sourced from PubChem (CID 109171792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).