4-(3-amino-4-pyridinyl)-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-2-fluoro-5-methylbenzamide

C20H15ClFN7O — CID 166463060

IUPAC4-(3-amino-4-pyridinyl)-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-2-fluoro-5-methylbenzamide
SMILESCc1cc(C(=O)Nc2cnc(-n3nccn3)c(Cl)c2)c(F)cc1-c1ccncc1N
InChIInChI=1S/C20H15ClFN7O/c1-11-6-15(17(22)8-14(11)13-2-3-24-10-18(13)23)20(30)28-12-7-16(21)19(25-9-12)29-26-4-5-27-29/h2-10H,23H2,1H3,(H,28,30)
InChIKeySCOFHGBKLPCVOZ-UHFFFAOYSA-N
MW423.84 g/mol
LogP3.66
Rot. Bonds4

About 4-(3-amino-4-pyridinyl)-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-2-fluoro-5-methylbenzamide

4-(3-amino-4-pyridinyl)-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-2-fluoro-5-methylbenzamide (PubChem CID 166463060) has the molecular formula C20H15ClFN7O and a molecular weight of 423.84 g/mol. Its IUPAC name is 4-(3-amino-4-pyridinyl)-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-2-fluoro-5-methylbenzamide.

Molecular Properties

Compound Name4-(3-amino-4-pyridinyl)-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-2-fluoro-5-methylbenzamide
PubChem CID166463060
Molecular FormulaC20H15ClFN7O
Molecular Weight423.84 g/mol
Exact Mass423.10
IUPAC Name4-(3-amino-4-pyridinyl)-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-2-fluoro-5-methylbenzamide
SMILESCc1cc(C(=O)Nc2cnc(-n3nccn3)c(Cl)c2)c(F)cc1-c1ccncc1N
InChIInChI=1S/C20H15ClFN7O/c1-11-6-15(17(22)8-14(11)13-2-3-24-10-18(13)23)20(30)28-12-7-16(21)19(25-9-12)29-26-4-5-27-29/h2-10H,23H2,1H3,(H,28,30)
InChIKeySCOFHGBKLPCVOZ-UHFFFAOYSA-N
XLogP3.66
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.84
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-(3-amino-4-pyridinyl)-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-2-fluoro-5-methylbenzamide with MolForge

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Related Compounds

5-chloro-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-2-fluoro-4-[4-fluoro-2-(methylamino)phenyl]benzamide
CID 166462855
2-chloro-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-5-fluoro-4-[3-(prop-2-enoylamino)-4-pyridinyl]benzamide
CID 167302764
[2-[5-chloro-4-[[5-chloro-6-(triazol-2-yl)-3-pyridinyl]carbamoyl]-2-fluorophenyl]-5-fluorophenyl]carbamic acid
CID 175833527
N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-(3,4-difluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 146285027
1-(2-chloro-4-fluoro-3-methylphenyl)-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 146285087
1-(6-amino-4-methyl-3-pyridinyl)-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 146285164
N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-5-ethynyl-4-(4-fluoro-2-formylphenyl)-2-methylbenzamide
CID 167302717
2-chloro-4-(2-chloro-4-fluorophenyl)-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)benzamide
CID 166462993
4-amino-N-(3,5-dichloro-4-fluorophenyl)pyridine-3-carboxamide
CID 107578409
N-(6-chloro-5-methyl-3-pyridinyl)-3-fluoropyridine-4-carboxamide
CID 103745275
N-(3-chloro-4-fluorophenyl)-3-methylpyridine-4-carboxamide
CID 110859368
2-chloro-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-4-[2-(cyclopropylamino)-4-fluorophenyl]-5-fluorobenzamide
CID 166463000

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-4-pyridinyl)-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-2-fluoro-5-methylbenzamide?
The IUPAC name of 4-(3-amino-4-pyridinyl)-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-2-fluoro-5-methylbenzamide (CID 166463060) is 4-(3-amino-4-pyridinyl)-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-2-fluoro-5-methylbenzamide.
What is the SMILES notation for 4-(3-amino-4-pyridinyl)-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-2-fluoro-5-methylbenzamide?
The canonical SMILES for 4-(3-amino-4-pyridinyl)-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-2-fluoro-5-methylbenzamide is Cc1cc(C(=O)Nc2cnc(-n3nccn3)c(Cl)c2)c(F)cc1-c1ccncc1N.
What is the InChIKey of 4-(3-amino-4-pyridinyl)-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-2-fluoro-5-methylbenzamide?
The InChIKey is SCOFHGBKLPCVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFN7O/c1-11-6-15(17(22)8-14(11)13-2-3-24-10-18(13)23)20(30)28-12-7-16(21)19(25-9-12)29-26-4-5-27-29/h2-10H,23H2,1H3,(H,28,30).
What are the key properties of 4-(3-amino-4-pyridinyl)-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-2-fluoro-5-methylbenzamide?
4-(3-amino-4-pyridinyl)-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-2-fluoro-5-methylbenzamide has a molecular weight of 423.84 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-4-pyridinyl)-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-2-fluoro-5-methylbenzamide is sourced from PubChem (CID 166463060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).