N-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-6-methyl-4-pyridinyl]-4-fluorophenyl]-2-(trifluoromethyl)pyridine-4-carboxamide

C28H21F4N5O2 — CID 168930438

IUPACN-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-6-methyl-4-pyridinyl]-4-fluorophenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESCc1cc(-c2cc(NC(=O)c3ccnc(C(F)(F)F)c3)ccc2F)cc(-c2ccnc(NC(=O)C3CC3)c2)n1
InChIInChI=1S/C28H21F4N5O2/c1-15-10-19(11-23(35-15)17-6-9-34-25(13-17)37-26(38)16-2-3-16)21-14-20(4-5-22(21)29)36-27(39)18-7-8-33-24(12-18)28(30,31)32/h4-14,16H,2-3H2,1H3,(H,36,39)(H,34,37,38)
InChIKeyZHJPUJZDEAUEDA-UHFFFAOYSA-N
MW535.50 g/mol
LogP6.27
Rot. Bonds6

About N-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-6-methyl-4-pyridinyl]-4-fluorophenyl]-2-(trifluoromethyl)pyridine-4-carboxamide

N-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-6-methyl-4-pyridinyl]-4-fluorophenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 168930438) has the molecular formula C28H21F4N5O2 and a molecular weight of 535.50 g/mol. Its IUPAC name is N-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-6-methyl-4-pyridinyl]-4-fluorophenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-6-methyl-4-pyridinyl]-4-fluorophenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
PubChem CID168930438
Molecular FormulaC28H21F4N5O2
Molecular Weight535.50 g/mol
Exact Mass535.16
IUPAC NameN-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-6-methyl-4-pyridinyl]-4-fluorophenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESCc1cc(-c2cc(NC(=O)c3ccnc(C(F)(F)F)c3)ccc2F)cc(-c2ccnc(NC(=O)C3CC3)c2)n1
InChIInChI=1S/C28H21F4N5O2/c1-15-10-19(11-23(35-15)17-6-9-34-25(13-17)37-26(38)16-2-3-16)21-14-20(4-5-22(21)29)36-27(39)18-7-8-33-24(12-18)28(30,31)32/h4-14,16H,2-3H2,1H3,(H,36,39)(H,34,37,38)
InChIKeyZHJPUJZDEAUEDA-UHFFFAOYSA-N
XLogP6.27
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.50
LogP ≤ 56.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]pyrimidin-4-yl]-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide
CID 168930367
N-[3-[3-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]phenyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 168930177
4-[4-[5-[[2-(2-cyanopropan-2-yl)pyridine-4-carbonyl]amino]-2-fluorophenyl]-6-methyl-2-pyridinyl]-N-methylpyridine-2-carboxamide
CID 169024632
N-[3-[2-(2-hydroxypropan-2-yl)-6-(2-methyl-4-pyridinyl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 168930288
N-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyrimidine-5-carboxamide
CID 176572432
2-(2-cyanopropan-2-yl)-N-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]pyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide
CID 168930124
N-[3-[5-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-3-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyrazine-2-carboxamide
CID 176572342
N-[3-(2-chloro-6-fluoro-4-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 168929406
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-[3-[4-[2-(cyclopropanecarbonylamino)-4-pyridinyl]pyrimidin-2-yl]-4-methylphenyl]-2-(1-propylcyclopropyl)pyridine-4-carboxamide
CID 168930170
N-[3-[3-(2-acetamido-4-pyridinyl)-1,2-dimethyl-2H-pyridin-5-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 169024674
2-(cyclopropanecarbonylamino)-N-(6-fluoro-5-methyl-3-pyridinyl)pyridine-4-carboxamide
CID 118071000

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-6-methyl-4-pyridinyl]-4-fluorophenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The IUPAC name of N-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-6-methyl-4-pyridinyl]-4-fluorophenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (CID 168930438) is N-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-6-methyl-4-pyridinyl]-4-fluorophenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-6-methyl-4-pyridinyl]-4-fluorophenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The canonical SMILES for N-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-6-methyl-4-pyridinyl]-4-fluorophenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is Cc1cc(-c2cc(NC(=O)c3ccnc(C(F)(F)F)c3)ccc2F)cc(-c2ccnc(NC(=O)C3CC3)c2)n1.
What is the InChIKey of N-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-6-methyl-4-pyridinyl]-4-fluorophenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The InChIKey is ZHJPUJZDEAUEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21F4N5O2/c1-15-10-19(11-23(35-15)17-6-9-34-25(13-17)37-26(38)16-2-3-16)21-14-20(4-5-22(21)29)36-27(39)18-7-8-33-24(12-18)28(30,31)32/h4-14,16H,2-3H2,1H3,(H,36,39)(H,34,37,38).
What are the key properties of N-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-6-methyl-4-pyridinyl]-4-fluorophenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
N-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-6-methyl-4-pyridinyl]-4-fluorophenyl]-2-(trifluoromethyl)pyridine-4-carboxamide has a molecular weight of 535.50 g/mol, XLogP of 6.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-6-methyl-4-pyridinyl]-4-fluorophenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 168930438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).