N-[6-[2-(2,4-dichlorophenyl)ethylamino]-3-pyridinyl]pyridine-3-carboxamide

C19H16Cl2N4O — CID 113015856

IUPACN-[6-[2-(2,4-dichlorophenyl)ethylamino]-3-pyridinyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(NCCc2ccc(Cl)cc2Cl)nc1)c1cccnc1
InChIInChI=1S/C19H16Cl2N4O/c20-15-4-3-13(17(21)10-15)7-9-23-18-6-5-16(12-24-18)25-19(26)14-2-1-8-22-11-14/h1-6,8,10-12H,7,9H2,(H,23,24)(H,25,26)
InChIKeyCQKSVATUCBSOCK-UHFFFAOYSA-N
MW387.27 g/mol
LogP4.69
Rot. Bonds6

About N-[6-[2-(2,4-dichlorophenyl)ethylamino]-3-pyridinyl]pyridine-3-carboxamide

N-[6-[2-(2,4-dichlorophenyl)ethylamino]-3-pyridinyl]pyridine-3-carboxamide (PubChem CID 113015856) has the molecular formula C19H16Cl2N4O and a molecular weight of 387.27 g/mol. Its IUPAC name is N-[6-[2-(2,4-dichlorophenyl)ethylamino]-3-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[6-[2-(2,4-dichlorophenyl)ethylamino]-3-pyridinyl]pyridine-3-carboxamide
PubChem CID113015856
Molecular FormulaC19H16Cl2N4O
Molecular Weight387.27 g/mol
Exact Mass386.07
IUPAC NameN-[6-[2-(2,4-dichlorophenyl)ethylamino]-3-pyridinyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(NCCc2ccc(Cl)cc2Cl)nc1)c1cccnc1
InChIInChI=1S/C19H16Cl2N4O/c20-15-4-3-13(17(21)10-15)7-9-23-18-6-5-16(12-24-18)25-19(26)14-2-1-8-22-11-14/h1-6,8,10-12H,7,9H2,(H,23,24)(H,25,26)
InChIKeyCQKSVATUCBSOCK-UHFFFAOYSA-N
XLogP4.69
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.27
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(2-phenylethylamino)-3-pyridinyl]pyridine-3-carboxamide
CID 113013043
N-[2-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide
CID 17472910
N-[6-(3-hydroxypropylamino)-3-pyridinyl]pyridine-3-carboxamide
CID 28901850
N-[6-(3-chloroanilino)-3-pyridinyl]pyridine-3-carboxamide
CID 113018532
N-[5-[2-(2,4-dichlorophenyl)ethylamino]-2-pyridinyl]furan-2-carboxamide
CID 113031062
N-[5-[2-(2,4-dichlorophenyl)ethylamino]-2-pyridinyl]cyclopropanecarboxamide
CID 113031057
N-[6-(propanoylamino)-3-pyridinyl]pyridine-3-carboxamide
CID 43812722
N-[2-(2,4-dichlorophenyl)ethyl]-4-oxo-4-pyridin-3-ylbutanamide
CID 110416767
N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 23939607
N-[6-[2-(2,4-dichlorophenyl)ethylamino]-3-pyridinyl]propane-1-sulfonamide
CID 113015866
N-(2,4-dichlorophenyl)-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109157918
N-[5-(2-methoxyethylamino)-2-pyridinyl]pyridine-3-carboxamide
CID 113025065

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(2,4-dichlorophenyl)ethylamino]-3-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of N-[6-[2-(2,4-dichlorophenyl)ethylamino]-3-pyridinyl]pyridine-3-carboxamide (CID 113015856) is N-[6-[2-(2,4-dichlorophenyl)ethylamino]-3-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[6-[2-(2,4-dichlorophenyl)ethylamino]-3-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for N-[6-[2-(2,4-dichlorophenyl)ethylamino]-3-pyridinyl]pyridine-3-carboxamide is O=C(Nc1ccc(NCCc2ccc(Cl)cc2Cl)nc1)c1cccnc1.
What is the InChIKey of N-[6-[2-(2,4-dichlorophenyl)ethylamino]-3-pyridinyl]pyridine-3-carboxamide?
The InChIKey is CQKSVATUCBSOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N4O/c20-15-4-3-13(17(21)10-15)7-9-23-18-6-5-16(12-24-18)25-19(26)14-2-1-8-22-11-14/h1-6,8,10-12H,7,9H2,(H,23,24)(H,25,26).
What are the key properties of N-[6-[2-(2,4-dichlorophenyl)ethylamino]-3-pyridinyl]pyridine-3-carboxamide?
N-[6-[2-(2,4-dichlorophenyl)ethylamino]-3-pyridinyl]pyridine-3-carboxamide has a molecular weight of 387.27 g/mol, XLogP of 4.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(2,4-dichlorophenyl)ethylamino]-3-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 113015856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).