methyl N-[6-[5-[2-methyl-5-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]-3-pyridinyl]pyrimidin-4-yl]carbamate

C25H19F3N6O3 — CID 176572423

IUPACmethyl N-[6-[5-[2-methyl-5-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]-3-pyridinyl]pyrimidin-4-yl]carbamate
SMILESCOC(=O)Nc1cc(-c2cncc(-c3cc(NC(=O)c4ccc(C(F)(F)F)nc4)ccc3C)c2)ncn1
InChIInChI=1S/C25H19F3N6O3/c1-14-3-5-18(33-23(35)15-4-6-21(30-12-15)25(26,27)28)8-19(14)16-7-17(11-29-10-16)20-9-22(32-13-31-20)34-24(36)37-2/h3-13H,1-2H3,(H,33,35)(H,31,32,34,36)
InChIKeyCMVGZKYZJRAEAQ-UHFFFAOYSA-N
MW508.46 g/mol
LogP5.36
Rot. Bonds5

About methyl N-[6-[5-[2-methyl-5-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]-3-pyridinyl]pyrimidin-4-yl]carbamate

methyl N-[6-[5-[2-methyl-5-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]-3-pyridinyl]pyrimidin-4-yl]carbamate (PubChem CID 176572423) has the molecular formula C25H19F3N6O3 and a molecular weight of 508.46 g/mol. Its IUPAC name is methyl N-[6-[5-[2-methyl-5-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]-3-pyridinyl]pyrimidin-4-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[6-[5-[2-methyl-5-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]-3-pyridinyl]pyrimidin-4-yl]carbamate
PubChem CID176572423
Molecular FormulaC25H19F3N6O3
Molecular Weight508.46 g/mol
Exact Mass508.15
IUPAC Namemethyl N-[6-[5-[2-methyl-5-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]-3-pyridinyl]pyrimidin-4-yl]carbamate
SMILESCOC(=O)Nc1cc(-c2cncc(-c3cc(NC(=O)c4ccc(C(F)(F)F)nc4)ccc3C)c2)ncn1
InChIInChI=1S/C25H19F3N6O3/c1-14-3-5-18(33-23(35)15-4-6-21(30-12-15)25(26,27)28)8-19(14)16-7-17(11-29-10-16)20-9-22(32-13-31-20)34-24(36)37-2/h3-13H,1-2H3,(H,33,35)(H,31,32,34,36)
InChIKeyCMVGZKYZJRAEAQ-UHFFFAOYSA-N
XLogP5.36
TPSA118.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.46
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl N-[6-[5-[2-methyl-5-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]-3-pyridinyl]pyrimidin-4-yl]carbamate with MolForge

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Related Compounds

methyl N-[6-[5-[5-[[2-(2-cyanopropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]-3-pyridinyl]pyrimidin-4-yl]carbamate
CID 168929287
N-[3-[5-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]-3-pyridinyl]-4-methylphenyl]-5-(2-fluoropropan-2-yl)pyridine-3-carboxamide
CID 176572429
N-[3-[2-(2-acetamido-4-pyridinyl)pyrimidin-4-yl]-4-methylphenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 176572506
6-[5-[5-[[2-(1,1-difluoroethyl)pyridine-4-carbonyl]amino]-2-methylphenyl]-3-pyridinyl]-N-methylpyrimidine-4-carboxamide
CID 168930025
N-[3-[3-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]phenyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 168930177
N-[3-[1-(6-aminopyrimidin-4-yl)indazol-6-yl]-4-methylphenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 156739430
N-[3-[5-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]-3-pyridinyl]-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide
CID 168930595
methyl N-[4-[6-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]-2-methylpyrimidin-4-yl]-2-pyridinyl]carbamate
CID 168929736
N-(4-ethylsulfonylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 33174489
N-[4-(propan-2-ylcarbamoyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 131941411
N-(3-methyl-4-pyrrolidin-1-ylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 38117199
N-[3-[5-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-3-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyrazine-2-carboxamide
CID 176572342

Frequently Asked Questions

What is the IUPAC name of methyl N-[6-[5-[2-methyl-5-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]-3-pyridinyl]pyrimidin-4-yl]carbamate?
The IUPAC name of methyl N-[6-[5-[2-methyl-5-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]-3-pyridinyl]pyrimidin-4-yl]carbamate (CID 176572423) is methyl N-[6-[5-[2-methyl-5-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]-3-pyridinyl]pyrimidin-4-yl]carbamate.
What is the SMILES notation for methyl N-[6-[5-[2-methyl-5-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]-3-pyridinyl]pyrimidin-4-yl]carbamate?
The canonical SMILES for methyl N-[6-[5-[2-methyl-5-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]-3-pyridinyl]pyrimidin-4-yl]carbamate is COC(=O)Nc1cc(-c2cncc(-c3cc(NC(=O)c4ccc(C(F)(F)F)nc4)ccc3C)c2)ncn1.
What is the InChIKey of methyl N-[6-[5-[2-methyl-5-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]-3-pyridinyl]pyrimidin-4-yl]carbamate?
The InChIKey is CMVGZKYZJRAEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N6O3/c1-14-3-5-18(33-23(35)15-4-6-21(30-12-15)25(26,27)28)8-19(14)16-7-17(11-29-10-16)20-9-22(32-13-31-20)34-24(36)37-2/h3-13H,1-2H3,(H,33,35)(H,31,32,34,36).
What are the key properties of methyl N-[6-[5-[2-methyl-5-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]-3-pyridinyl]pyrimidin-4-yl]carbamate?
methyl N-[6-[5-[2-methyl-5-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]-3-pyridinyl]pyrimidin-4-yl]carbamate has a molecular weight of 508.46 g/mol, XLogP of 5.36, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[6-[5-[2-methyl-5-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]-3-pyridinyl]pyrimidin-4-yl]carbamate is sourced from PubChem (CID 176572423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).