N-[4-(2-morpholin-4-ylethoxy)-3-pyridinyl]-2-[[(1Z,3E)-5,5,5-trifluoro-4-methyl-1-(methylideneamino)penta-1,3-dienyl]amino]pyridine-4-carboxamide

C24H27F3N6O3 — CID 130280314

IUPACN-[4-(2-morpholin-4-ylethoxy)-3-pyridinyl]-2-[[(1Z,3E)-5,5,5-trifluoro-4-methyl-1-(methylideneamino)penta-1,3-dienyl]amino]pyridine-4-carboxamide
SMILESC=N/C(=C\C=C(/C)C(F)(F)F)Nc1cc(C(=O)Nc2cnccc2OCCN2CCOCC2)ccn1
InChIInChI=1S/C24H27F3N6O3/c1-17(24(25,26)27)3-4-21(28-2)32-22-15-18(5-8-30-22)23(34)31-19-16-29-7-6-20(19)36-14-11-33-9-12-35-13-10-33/h3-8,15-16H,2,9-14H2,1H3,(H,30,32)(H,31,34)/b17-3+,21-4+
InChIKeyJODSDVMJLLDMTA-CZAOLMFKSA-N
MW504.51 g/mol
LogP3.90
Rot. Bonds10

About N-[4-(2-morpholin-4-ylethoxy)-3-pyridinyl]-2-[[(1Z,3E)-5,5,5-trifluoro-4-methyl-1-(methylideneamino)penta-1,3-dienyl]amino]pyridine-4-carboxamide

N-[4-(2-morpholin-4-ylethoxy)-3-pyridinyl]-2-[[(1Z,3E)-5,5,5-trifluoro-4-methyl-1-(methylideneamino)penta-1,3-dienyl]amino]pyridine-4-carboxamide (PubChem CID 130280314) has the molecular formula C24H27F3N6O3 and a molecular weight of 504.51 g/mol. Its IUPAC name is N-[4-(2-morpholin-4-ylethoxy)-3-pyridinyl]-2-[[(1Z,3E)-5,5,5-trifluoro-4-methyl-1-(methylideneamino)penta-1,3-dienyl]amino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2-morpholin-4-ylethoxy)-3-pyridinyl]-2-[[(1Z,3E)-5,5,5-trifluoro-4-methyl-1-(methylideneamino)penta-1,3-dienyl]amino]pyridine-4-carboxamide
PubChem CID130280314
Molecular FormulaC24H27F3N6O3
Molecular Weight504.51 g/mol
Exact Mass504.21
IUPAC NameN-[4-(2-morpholin-4-ylethoxy)-3-pyridinyl]-2-[[(1Z,3E)-5,5,5-trifluoro-4-methyl-1-(methylideneamino)penta-1,3-dienyl]amino]pyridine-4-carboxamide
SMILESC=N/C(=C\C=C(/C)C(F)(F)F)Nc1cc(C(=O)Nc2cnccc2OCCN2CCOCC2)ccn1
InChIInChI=1S/C24H27F3N6O3/c1-17(24(25,26)27)3-4-21(28-2)32-22-15-18(5-8-30-22)23(34)31-19-16-29-7-6-20(19)36-14-11-33-9-12-35-13-10-33/h3-8,15-16H,2,9-14H2,1H3,(H,30,32)(H,31,34)/b17-3+,21-4+
InChIKeyJODSDVMJLLDMTA-CZAOLMFKSA-N
XLogP3.90
TPSA100.97 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.51
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N-[4-(2-morpholin-4-ylethoxy)-3-pyridinyl]-2-[[(1Z,3E)-5,5,5-trifluoro-4-methyl-1-(methylideneamino)penta-1,3-dienyl]amino]pyridine-4-carboxamide with MolForge

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Related Compounds

1-[5-methyl-2-(2-morpholin-4-ylethoxy)phenyl]-3-pyrazin-2-ylurea
CID 22046416
N-(2-ethoxyphenyl)-2-(2-morpholin-4-ylethylamino)pyridine-4-carboxamide
CID 109168105
N-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]pyridine-4-carboxamide
CID 84559427
2-(cyclopropanecarbonylamino)-N-[4-(cyclopropylmethoxy)-3-pyridinyl]pyridine-4-carboxamide
CID 118070965
N-[3-(2-methylpyrazol-3-yl)-4-[2-(1,4-oxazepan-4-yl)ethoxy]phenyl]-3-(trifluoromethyl)benzamide
CID 11670336
N-(2,4-difluorophenyl)-2-(2-morpholin-4-ylethylamino)pyridine-4-carboxamide
CID 109168130
N-[2-(imidazo[1,2-a]pyrazin-3-ylmethyl)-3-(2-morpholin-4-ylethoxy)-5-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole-6-carboxamide
CID 171744097
2-morpholin-4-ylethyl N-[4-[7-[(3-tert-butylphenyl)carbamoyl]naphthalen-2-yl]oxy-2-pyridinyl]carbamate
CID 69440674
N-[3-(2-methylpyrazol-3-yl)-4-(3-morpholin-4-ylpropoxy)phenyl]-3-(trifluoromethyl)benzamide
CID 66928026
N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]pyridine-3-carboxamide
CID 66927790
N-[4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-4-morpholin-4-yl-3-nitrobenzamide
CID 71910931
N-[[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]pyridine-3-carboxamide
CID 3254715

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-morpholin-4-ylethoxy)-3-pyridinyl]-2-[[(1Z,3E)-5,5,5-trifluoro-4-methyl-1-(methylideneamino)penta-1,3-dienyl]amino]pyridine-4-carboxamide?
The IUPAC name of N-[4-(2-morpholin-4-ylethoxy)-3-pyridinyl]-2-[[(1Z,3E)-5,5,5-trifluoro-4-methyl-1-(methylideneamino)penta-1,3-dienyl]amino]pyridine-4-carboxamide (CID 130280314) is N-[4-(2-morpholin-4-ylethoxy)-3-pyridinyl]-2-[[(1Z,3E)-5,5,5-trifluoro-4-methyl-1-(methylideneamino)penta-1,3-dienyl]amino]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-(2-morpholin-4-ylethoxy)-3-pyridinyl]-2-[[(1Z,3E)-5,5,5-trifluoro-4-methyl-1-(methylideneamino)penta-1,3-dienyl]amino]pyridine-4-carboxamide?
The canonical SMILES for N-[4-(2-morpholin-4-ylethoxy)-3-pyridinyl]-2-[[(1Z,3E)-5,5,5-trifluoro-4-methyl-1-(methylideneamino)penta-1,3-dienyl]amino]pyridine-4-carboxamide is C=N/C(=C\C=C(/C)C(F)(F)F)Nc1cc(C(=O)Nc2cnccc2OCCN2CCOCC2)ccn1.
What is the InChIKey of N-[4-(2-morpholin-4-ylethoxy)-3-pyridinyl]-2-[[(1Z,3E)-5,5,5-trifluoro-4-methyl-1-(methylideneamino)penta-1,3-dienyl]amino]pyridine-4-carboxamide?
The InChIKey is JODSDVMJLLDMTA-CZAOLMFKSA-N. The full InChI is InChI=1S/C24H27F3N6O3/c1-17(24(25,26)27)3-4-21(28-2)32-22-15-18(5-8-30-22)23(34)31-19-16-29-7-6-20(19)36-14-11-33-9-12-35-13-10-33/h3-8,15-16H,2,9-14H2,1H3,(H,30,32)(H,31,34)/b17-3+,21-4+.
What are the key properties of N-[4-(2-morpholin-4-ylethoxy)-3-pyridinyl]-2-[[(1Z,3E)-5,5,5-trifluoro-4-methyl-1-(methylideneamino)penta-1,3-dienyl]amino]pyridine-4-carboxamide?
N-[4-(2-morpholin-4-ylethoxy)-3-pyridinyl]-2-[[(1Z,3E)-5,5,5-trifluoro-4-methyl-1-(methylideneamino)penta-1,3-dienyl]amino]pyridine-4-carboxamide has a molecular weight of 504.51 g/mol, XLogP of 3.90, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-morpholin-4-ylethoxy)-3-pyridinyl]-2-[[(1Z,3E)-5,5,5-trifluoro-4-methyl-1-(methylideneamino)penta-1,3-dienyl]amino]pyridine-4-carboxamide is sourced from PubChem (CID 130280314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).