N-[4-(3-chloronaphthalen-2-yl)-6-(pyridine-3-carbonylamino)-1,3,5-triazin-2-yl]pyridine-3-carboxamide

C25H16ClN7O2 — CID 23318691

IUPACN-[4-(3-chloronaphthalen-2-yl)-6-(pyridine-3-carbonylamino)-1,3,5-triazin-2-yl]pyridine-3-carboxamide
SMILESO=C(Nc1nc(NC(=O)c2cccnc2)nc(-c2cc3ccccc3cc2Cl)n1)c1cccnc1
InChIInChI=1S/C25H16ClN7O2/c26-20-12-16-6-2-1-5-15(16)11-19(20)21-29-24(31-22(34)17-7-3-9-27-13-17)33-25(30-21)32-23(35)18-8-4-10-28-14-18/h1-14H,(H2,29,30,31,32,33,34,35)
InChIKeyJHFVYRIQGAXFHP-UHFFFAOYSA-N
MW481.90 g/mol
LogP4.64
Rot. Bonds5

About N-[4-(3-chloronaphthalen-2-yl)-6-(pyridine-3-carbonylamino)-1,3,5-triazin-2-yl]pyridine-3-carboxamide

N-[4-(3-chloronaphthalen-2-yl)-6-(pyridine-3-carbonylamino)-1,3,5-triazin-2-yl]pyridine-3-carboxamide (PubChem CID 23318691) has the molecular formula C25H16ClN7O2 and a molecular weight of 481.90 g/mol. Its IUPAC name is N-[4-(3-chloronaphthalen-2-yl)-6-(pyridine-3-carbonylamino)-1,3,5-triazin-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(3-chloronaphthalen-2-yl)-6-(pyridine-3-carbonylamino)-1,3,5-triazin-2-yl]pyridine-3-carboxamide
PubChem CID23318691
Molecular FormulaC25H16ClN7O2
Molecular Weight481.90 g/mol
Exact Mass481.11
IUPAC NameN-[4-(3-chloronaphthalen-2-yl)-6-(pyridine-3-carbonylamino)-1,3,5-triazin-2-yl]pyridine-3-carboxamide
SMILESO=C(Nc1nc(NC(=O)c2cccnc2)nc(-c2cc3ccccc3cc2Cl)n1)c1cccnc1
InChIInChI=1S/C25H16ClN7O2/c26-20-12-16-6-2-1-5-15(16)11-19(20)21-29-24(31-22(34)17-7-3-9-27-13-17)33-25(30-21)32-23(35)18-8-4-10-28-14-18/h1-14H,(H2,29,30,31,32,33,34,35)
InChIKeyJHFVYRIQGAXFHP-UHFFFAOYSA-N
XLogP4.64
TPSA122.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.90
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(2-chlorophenyl)-6-(4-chlorophenyl)pyrimidin-2-yl]pyridine-3-carboxamide
CID 155927396
N-(1,3,5-triazin-2-yl)pyridine-3-carboxamide
CID 70617129
N-[4-(4-chlorophenyl)-6-(4-fluorophenyl)pyrimidin-2-yl]pyridine-3-carboxamide
CID 155927543
N-(2-chloro-4-hydroxyphenyl)pyridine-3-carboxamide
CID 64787918
N-naphthalen-1-ylpyridine-3-carboxamide
CID 532824
N-(4-chloro-3-fluorophenyl)pyridine-3-carboxamide
CID 47227911
N-[3-[[2-(2-chlorophenyl)acetyl]amino]phenyl]pyridine-3-carboxamide
CID 108925213
N-(2-amino-4,6-dichlorophenyl)pyridine-3-carboxamide
CID 16776804
N-(4,6-dimethoxy-5-phenylpyrimidin-2-yl)pyridine-3-carboxamide
CID 23799976
N-[3-[(5-chloro-2-fluorobenzoyl)amino]phenyl]pyridine-3-carboxamide
CID 39188175
N-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide
CID 78928131
2-chloro-N-[3-(pyridine-3-carbonylamino)phenyl]pyridine-4-carboxamide
CID 39188157

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-chloronaphthalen-2-yl)-6-(pyridine-3-carbonylamino)-1,3,5-triazin-2-yl]pyridine-3-carboxamide?
The IUPAC name of N-[4-(3-chloronaphthalen-2-yl)-6-(pyridine-3-carbonylamino)-1,3,5-triazin-2-yl]pyridine-3-carboxamide (CID 23318691) is N-[4-(3-chloronaphthalen-2-yl)-6-(pyridine-3-carbonylamino)-1,3,5-triazin-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(3-chloronaphthalen-2-yl)-6-(pyridine-3-carbonylamino)-1,3,5-triazin-2-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-(3-chloronaphthalen-2-yl)-6-(pyridine-3-carbonylamino)-1,3,5-triazin-2-yl]pyridine-3-carboxamide is O=C(Nc1nc(NC(=O)c2cccnc2)nc(-c2cc3ccccc3cc2Cl)n1)c1cccnc1.
What is the InChIKey of N-[4-(3-chloronaphthalen-2-yl)-6-(pyridine-3-carbonylamino)-1,3,5-triazin-2-yl]pyridine-3-carboxamide?
The InChIKey is JHFVYRIQGAXFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16ClN7O2/c26-20-12-16-6-2-1-5-15(16)11-19(20)21-29-24(31-22(34)17-7-3-9-27-13-17)33-25(30-21)32-23(35)18-8-4-10-28-14-18/h1-14H,(H2,29,30,31,32,33,34,35).
What are the key properties of N-[4-(3-chloronaphthalen-2-yl)-6-(pyridine-3-carbonylamino)-1,3,5-triazin-2-yl]pyridine-3-carboxamide?
N-[4-(3-chloronaphthalen-2-yl)-6-(pyridine-3-carbonylamino)-1,3,5-triazin-2-yl]pyridine-3-carboxamide has a molecular weight of 481.90 g/mol, XLogP of 4.64, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-chloronaphthalen-2-yl)-6-(pyridine-3-carbonylamino)-1,3,5-triazin-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 23318691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).