N-(4-acetyl-3-pyridinyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide;N-[4-(1-hydroxyethyl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide

C38H30F6N10O4 — CID 161350558

IUPACN-(4-acetyl-3-pyridinyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide;N-[4-(1-hydroxyethyl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
SMILESCC(=O)c1ccncc1NC(=O)c1ccnc(Nc2ccc(C(F)(F)F)cn2)c1.CC(O)c1ccncc1NC(=O)c1ccnc(Nc2ccc(C(F)(F)F)cn2)c1
InChIInChI=1S/C19H16F3N5O2.C19H14F3N5O2/c2*1-11(28)14-5-6-23-10-15(14)26-18(29)12-4-7-24-17(8-12)27-16-3-2-13(9-25-16)19(20,21)22/h2-11,28H,1H3,(H,26,29)(H,24,25,27);2-10H,1H3,(H,26,29)(H,24,25,27)
InChIKeyVNWIHCFSHBKARI-UHFFFAOYSA-N
MW804.71 g/mol
LogP8.03
Rot. Bonds10

About N-(4-acetyl-3-pyridinyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide;N-[4-(1-hydroxyethyl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide

N-(4-acetyl-3-pyridinyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide;N-[4-(1-hydroxyethyl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide (PubChem CID 161350558) has the molecular formula C38H30F6N10O4 and a molecular weight of 804.71 g/mol. Its IUPAC name is N-(4-acetyl-3-pyridinyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide;N-[4-(1-hydroxyethyl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetyl-3-pyridinyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide;N-[4-(1-hydroxyethyl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
PubChem CID161350558
Molecular FormulaC38H30F6N10O4
Molecular Weight804.71 g/mol
Exact Mass804.24
IUPAC NameN-(4-acetyl-3-pyridinyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide;N-[4-(1-hydroxyethyl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
SMILESCC(=O)c1ccncc1NC(=O)c1ccnc(Nc2ccc(C(F)(F)F)cn2)c1.CC(O)c1ccncc1NC(=O)c1ccnc(Nc2ccc(C(F)(F)F)cn2)c1
InChIInChI=1S/C19H16F3N5O2.C19H14F3N5O2/c2*1-11(28)14-5-6-23-10-15(14)26-18(29)12-4-7-24-17(8-12)27-16-3-2-13(9-25-16)19(20,21)22/h2-11,28H,1H3,(H,26,29)(H,24,25,27);2-10H,1H3,(H,26,29)(H,24,25,27)
InChIKeyVNWIHCFSHBKARI-UHFFFAOYSA-N
XLogP8.03
TPSA196.90 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500804.71
LogP ≤ 58.03
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

Analyze N-(4-acetyl-3-pyridinyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide;N-[4-(1-hydroxyethyl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide with MolForge

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Related Compounds

2-(cyclopropanecarbonylamino)-N-[4-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-3-yl]pyridine-4-carboxamide
CID 118065519
Bis(3-pyridinemethanol-N(1))bis(2-((3-(trifluoromethyl)phenyl)amino)-3-pyridinecarboxylato-N(2),O(3))copper
CID 148128
N-[4-(3,4-dihydro-2H-pyran-6-yl)pyridin-3-yl]-2-[[5-(trifluoromethyl)pyridin-2-yl]amino]pyridine-4-carboxamide
CID 118064045
N-[6-chloro-4-[cyclopropyl(hydroxy)methyl]pyridin-3-yl]-2-[[5-(trifluoromethyl)pyridin-2-yl]amino]pyridine-4-carboxamide
CID 118064060
N-[6-chloro-4-(1-hydroxy-2-methylpropyl)pyridin-3-yl]-2-[[5-(trifluoromethyl)pyridin-2-yl]amino]pyridine-4-carboxamide
CID 118064070
N-[6-chloro-4-(1-hydroxy-2,2-dimethylpropyl)pyridin-3-yl]-2-[[5-(trifluoromethyl)pyridin-2-yl]amino]pyridine-4-carboxamide
CID 118064189
N-[4-[cyclopropyl(hydroxy)methyl]-6-methylpyridin-3-yl]-2-[[5-(trifluoromethyl)pyridin-2-yl]amino]pyridine-4-carboxamide
CID 118064251
N-(4-(1-Hydroxyethyl)pyridin-3-yl)-2-((5-(trifluoromethyl)pyridin-2-yl)amino)isonicotinamide
CID 118064331
N-[4-(2-hydroxyethyl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
CID 118064333
N-[4-(1-hydroxycyclohexyl)pyridin-3-yl]-2-[[5-(trifluoromethyl)pyridin-2-yl]amino]pyridine-4-carboxamide
CID 118064418
N-[6-chloro-4-(1-hydroxybutyl)pyridin-3-yl]-2-[[5-(trifluoromethyl)pyridin-2-yl]amino]pyridine-4-carboxamide
CID 118072375
N-[4-[cyclopropyl(hydroxy)methyl]-6-methyl-3-pyridinyl]-2-[[5-(fluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
CID 122551123

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-3-pyridinyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide;N-[4-(1-hydroxyethyl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide?
The IUPAC name of N-(4-acetyl-3-pyridinyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide;N-[4-(1-hydroxyethyl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide (CID 161350558) is N-(4-acetyl-3-pyridinyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide;N-[4-(1-hydroxyethyl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide.
What is the SMILES notation for N-(4-acetyl-3-pyridinyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide;N-[4-(1-hydroxyethyl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide?
The canonical SMILES for N-(4-acetyl-3-pyridinyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide;N-[4-(1-hydroxyethyl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide is CC(=O)c1ccncc1NC(=O)c1ccnc(Nc2ccc(C(F)(F)F)cn2)c1.CC(O)c1ccncc1NC(=O)c1ccnc(Nc2ccc(C(F)(F)F)cn2)c1.
What is the InChIKey of N-(4-acetyl-3-pyridinyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide;N-[4-(1-hydroxyethyl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide?
The InChIKey is VNWIHCFSHBKARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N5O2.C19H14F3N5O2/c2*1-11(28)14-5-6-23-10-15(14)26-18(29)12-4-7-24-17(8-12)27-16-3-2-13(9-25-16)19(20,21)22/h2-11,28H,1H3,(H,26,29)(H,24,25,27);2-10H,1H3,(H,26,29)(H,24,25,27).
What are the key properties of N-(4-acetyl-3-pyridinyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide;N-[4-(1-hydroxyethyl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide?
N-(4-acetyl-3-pyridinyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide;N-[4-(1-hydroxyethyl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide has a molecular weight of 804.71 g/mol, XLogP of 8.03, 10 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-3-pyridinyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide;N-[4-(1-hydroxyethyl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide is sourced from PubChem (CID 161350558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).