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

C23H21ClFN3O3 — CID 163543504

IUPACmethyl 6-[2-chloro-5-[[6-(2-fluoropropan-2-yl)-2-methylpyridine-3-carbonyl]amino]phenyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(-c2cc(NC(=O)c3ccc(C(C)(C)F)nc3C)ccc2Cl)nc1
InChIInChI=1S/C23H21ClFN3O3/c1-13-16(7-10-20(27-13)23(2,3)25)21(29)28-15-6-8-18(24)17(11-15)19-9-5-14(12-26-19)22(30)31-4/h5-12H,1-4H3,(H,28,29)
InChIKeyFDBNQMBXUBYPFX-UHFFFAOYSA-N
MW441.89 g/mol
LogP5.35
Rot. Bonds5

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

methyl 6-[2-chloro-5-[[6-(2-fluoropropan-2-yl)-2-methylpyridine-3-carbonyl]amino]phenyl]pyridine-3-carboxylate (PubChem CID 163543504) has the molecular formula C23H21ClFN3O3 and a molecular weight of 441.89 g/mol. Its IUPAC name is methyl 6-[2-chloro-5-[[6-(2-fluoropropan-2-yl)-2-methylpyridine-3-carbonyl]amino]phenyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[2-chloro-5-[[6-(2-fluoropropan-2-yl)-2-methylpyridine-3-carbonyl]amino]phenyl]pyridine-3-carboxylate
PubChem CID163543504
Molecular FormulaC23H21ClFN3O3
Molecular Weight441.89 g/mol
Exact Mass441.13
IUPAC Namemethyl 6-[2-chloro-5-[[6-(2-fluoropropan-2-yl)-2-methylpyridine-3-carbonyl]amino]phenyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(-c2cc(NC(=O)c3ccc(C(C)(C)F)nc3C)ccc2Cl)nc1
InChIInChI=1S/C23H21ClFN3O3/c1-13-16(7-10-20(27-13)23(2,3)25)21(29)28-15-6-8-18(24)17(11-15)19-9-5-14(12-26-19)22(30)31-4/h5-12H,1-4H3,(H,28,29)
InChIKeyFDBNQMBXUBYPFX-UHFFFAOYSA-N
XLogP5.35
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.89
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 6-[2-chloro-5-[[6-(2-fluoropropan-2-yl)-2-methylpyridine-3-carbonyl]amino]phenyl]pyridine-3-carboxylate with MolForge

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Related Compounds

6-[2-chloro-5-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]pyridine-3-carboxylate
CID 86603991
[3-chloro-4-[[4-chloro-3-(5-methoxycarbonyl-2-pyridinyl)phenyl]carbamoyl]phenyl]methyl sulfite
CID 174713766
N-[4-chloro-3-(5-methoxy-2-pyridinyl)phenyl]-6-(fluoromethyl)-2-methylpyridine-3-carboxamide
CID 70953905
2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2,2,2-trifluoroethylamino)methyl]benzamide;N-[4-chloro-3-[5-(hydroxymethyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[ethoxy(methyl)phosphoryl]methyl]benzamide;methyl 6-[2-chloro-5-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]pyridine-3-carboxylate
CID 158131120
N-(3-acetyl-4-chlorophenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 69235352
N-[4-chloro-3-(5-methyl-2-pyridinyl)phenyl]-4-methylsulfonylbenzamide
CID 58227030
5-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-hydroxyethylamino)pyridine-3-carboxamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methanesulfonamido)benzamide;N-[4-chloro-3-(5-methyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-ethylbenzamide
CID 158790649
N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 90403576
N-(4-chloro-3-pyridin-2-ylphenyl)-2,6-dimethylpyridine-3-carboxamide
CID 45485759
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-[4-chloro-3-(4-methoxy-1H-benzimidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 59515640

Frequently Asked Questions

What is the IUPAC name of methyl 6-[2-chloro-5-[[6-(2-fluoropropan-2-yl)-2-methylpyridine-3-carbonyl]amino]phenyl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[2-chloro-5-[[6-(2-fluoropropan-2-yl)-2-methylpyridine-3-carbonyl]amino]phenyl]pyridine-3-carboxylate (CID 163543504) is methyl 6-[2-chloro-5-[[6-(2-fluoropropan-2-yl)-2-methylpyridine-3-carbonyl]amino]phenyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[2-chloro-5-[[6-(2-fluoropropan-2-yl)-2-methylpyridine-3-carbonyl]amino]phenyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[2-chloro-5-[[6-(2-fluoropropan-2-yl)-2-methylpyridine-3-carbonyl]amino]phenyl]pyridine-3-carboxylate is COC(=O)c1ccc(-c2cc(NC(=O)c3ccc(C(C)(C)F)nc3C)ccc2Cl)nc1.
What is the InChIKey of methyl 6-[2-chloro-5-[[6-(2-fluoropropan-2-yl)-2-methylpyridine-3-carbonyl]amino]phenyl]pyridine-3-carboxylate?
The InChIKey is FDBNQMBXUBYPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClFN3O3/c1-13-16(7-10-20(27-13)23(2,3)25)21(29)28-15-6-8-18(24)17(11-15)19-9-5-14(12-26-19)22(30)31-4/h5-12H,1-4H3,(H,28,29).
What are the key properties of methyl 6-[2-chloro-5-[[6-(2-fluoropropan-2-yl)-2-methylpyridine-3-carbonyl]amino]phenyl]pyridine-3-carboxylate?
methyl 6-[2-chloro-5-[[6-(2-fluoropropan-2-yl)-2-methylpyridine-3-carbonyl]amino]phenyl]pyridine-3-carboxylate has a molecular weight of 441.89 g/mol, XLogP of 5.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[2-chloro-5-[[6-(2-fluoropropan-2-yl)-2-methylpyridine-3-carbonyl]amino]phenyl]pyridine-3-carboxylate is sourced from PubChem (CID 163543504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).