6-[2-chloro-5-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]pyridine-3-carboxylate

C20H12ClF3N3O3- — CID 86603991

IUPAC6-[2-chloro-5-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]pyridine-3-carboxylate
SMILESCc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2ccc(C(=O)[O-])cn2)c1
InChIInChI=1S/C20H13ClF3N3O3/c1-10-13(4-7-17(26-10)20(22,23)24)18(28)27-12-3-5-15(21)14(8-12)16-6-2-11(9-25-16)19(29)30/h2-9H,1H3,(H,27,28)(H,29,30)/p-1
InChIKeyYRBGAARZNIQQKC-UHFFFAOYSA-M
MW434.78 g/mol
LogP3.74
Rot. Bonds4

About 6-[2-chloro-5-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]pyridine-3-carboxylate

6-[2-chloro-5-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]pyridine-3-carboxylate (PubChem CID 86603991) has the molecular formula C20H12ClF3N3O3- and a molecular weight of 434.78 g/mol. Its IUPAC name is 6-[2-chloro-5-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]pyridine-3-carboxylate.

Molecular Properties

Compound Name6-[2-chloro-5-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]pyridine-3-carboxylate
PubChem CID86603991
Molecular FormulaC20H12ClF3N3O3-
Molecular Weight434.78 g/mol
Exact Mass434.05
IUPAC Name6-[2-chloro-5-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]pyridine-3-carboxylate
SMILESCc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2ccc(C(=O)[O-])cn2)c1
InChIInChI=1S/C20H13ClF3N3O3/c1-10-13(4-7-17(26-10)20(22,23)24)18(28)27-12-3-5-15(21)14(8-12)16-6-2-11(9-25-16)19(29)30/h2-9H,1H3,(H,27,28)(H,29,30)/p-1
InChIKeyYRBGAARZNIQQKC-UHFFFAOYSA-M
XLogP3.74
TPSA95.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.78
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-[2-chloro-5-[[6-(2-fluoropropan-2-yl)-2-methylpyridine-3-carbonyl]amino]phenyl]pyridine-3-carboxylate
CID 163543504
N-(3-acetyl-4-chlorophenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 69235352
N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 90403576
1-[4-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]-2-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]-N,N-dimethylmethanamine oxide
CID 143198901
2-methyl-N-[4-methyl-3-(4-methyl-2-pyridinyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 170123306
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 11502886
N-(4-acetylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 71898029
N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 16730636
N-[4-chloro-3-(5-methoxy-2-pyridinyl)phenyl]-6-(fluoromethyl)-2-methylpyridine-3-carboxamide
CID 70953905
N-[4-chloro-3-(5-phenyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3R)-3-methylpiperazin-1-yl]pyridine-3-carboxamide
CID 158198223
N-[4-chloro-3-[[4-(thiadiazol-4-yl)benzoyl]amino]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 16730716
N-[4-chloro-3-[(2-fluorobenzoyl)amino]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 16730638

Frequently Asked Questions

What is the IUPAC name of 6-[2-chloro-5-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]pyridine-3-carboxylate?
The IUPAC name of 6-[2-chloro-5-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]pyridine-3-carboxylate (CID 86603991) is 6-[2-chloro-5-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]pyridine-3-carboxylate.
What is the SMILES notation for 6-[2-chloro-5-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]pyridine-3-carboxylate?
The canonical SMILES for 6-[2-chloro-5-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]pyridine-3-carboxylate is Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2ccc(C(=O)[O-])cn2)c1.
What is the InChIKey of 6-[2-chloro-5-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]pyridine-3-carboxylate?
The InChIKey is YRBGAARZNIQQKC-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H13ClF3N3O3/c1-10-13(4-7-17(26-10)20(22,23)24)18(28)27-12-3-5-15(21)14(8-12)16-6-2-11(9-25-16)19(29)30/h2-9H,1H3,(H,27,28)(H,29,30)/p-1.
What are the key properties of 6-[2-chloro-5-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]pyridine-3-carboxylate?
6-[2-chloro-5-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]pyridine-3-carboxylate has a molecular weight of 434.78 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-chloro-5-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]pyridine-3-carboxylate is sourced from PubChem (CID 86603991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).