N-[4-[[3-[(5-chloro-2-pyridinyl)oxy]phenyl]methylidene]cyclohexyl]-1H-pyrazole-4-carboxamide

C22H21ClN4O2 — CID 89463796

IUPACN-[4-[[3-[(5-chloro-2-pyridinyl)oxy]phenyl]methylidene]cyclohexyl]-1H-pyrazole-4-carboxamide
SMILESO=C(NC1CCC(=Cc2cccc(Oc3ccc(Cl)cn3)c2)CC1)c1cn[nH]c1
InChIInChI=1S/C22H21ClN4O2/c23-18-6-9-21(24-14-18)29-20-3-1-2-16(11-20)10-15-4-7-19(8-5-15)27-22(28)17-12-25-26-13-17/h1-3,6,9-14,19H,4-5,7-8H2,(H,25,26)(H,27,28)/b15-10-
InChIKeyXQFWAKLXWAADJN-GDNBJRDFSA-N
MW408.89 g/mol
LogP5.01
Rot. Bonds5

About N-[4-[[3-[(5-chloro-2-pyridinyl)oxy]phenyl]methylidene]cyclohexyl]-1H-pyrazole-4-carboxamide

N-[4-[[3-[(5-chloro-2-pyridinyl)oxy]phenyl]methylidene]cyclohexyl]-1H-pyrazole-4-carboxamide (PubChem CID 89463796) has the molecular formula C22H21ClN4O2 and a molecular weight of 408.89 g/mol. Its IUPAC name is N-[4-[[3-[(5-chloro-2-pyridinyl)oxy]phenyl]methylidene]cyclohexyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[[3-[(5-chloro-2-pyridinyl)oxy]phenyl]methylidene]cyclohexyl]-1H-pyrazole-4-carboxamide
PubChem CID89463796
Molecular FormulaC22H21ClN4O2
Molecular Weight408.89 g/mol
Exact Mass408.14
IUPAC NameN-[4-[[3-[(5-chloro-2-pyridinyl)oxy]phenyl]methylidene]cyclohexyl]-1H-pyrazole-4-carboxamide
SMILESO=C(NC1CCC(=Cc2cccc(Oc3ccc(Cl)cn3)c2)CC1)c1cn[nH]c1
InChIInChI=1S/C22H21ClN4O2/c23-18-6-9-21(24-14-18)29-20-3-1-2-16(11-20)10-15-4-7-19(8-5-15)27-22(28)17-12-25-26-13-17/h1-3,6,9-14,19H,4-5,7-8H2,(H,25,26)(H,27,28)/b15-10-
InChIKeyXQFWAKLXWAADJN-GDNBJRDFSA-N
XLogP5.01
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.89
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[[3-[(5-chloro-2-pyridinyl)oxy]phenyl]methylidene]cyclohexyl]-1H-pyrazole-4-carboxamide with MolForge

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Related Compounds

N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]-1H-pyrazole-4-carboxamide
CID 71544011
N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-4-carboxamide
CID 71543956
6-amino-N-[4-[[3-[[6-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide
CID 89463727
N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]-1H-pyrrole-2-carboxamide
CID 141362482
benzene;N-cyclopropyl-4-[[3-[(5-methyl-2-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxamide;ethane
CID 166076258
N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 89464321
ethyl 2-[4-[[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]carbamoyl]pyrazol-1-yl]acetate
CID 89463844
2-[4-[[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]carbamoyl]pyrazol-1-yl]butanoic acid
CID 89463843
N-cyclopropyl-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide;ethene
CID 171499902
4-[[3-[(5-cyclopropyl-2-pyridinyl)oxy]phenyl]methylidene]cyclohexan-1-one
CID 89463374
N-[4-[(3-aminophenyl)methylidene]cyclohexyl]pyridine-3-carboxamide
CID 89463574
N-cyclohexyl-1H-pyrazole-4-carboxamide
CID 43532859

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-[(5-chloro-2-pyridinyl)oxy]phenyl]methylidene]cyclohexyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[4-[[3-[(5-chloro-2-pyridinyl)oxy]phenyl]methylidene]cyclohexyl]-1H-pyrazole-4-carboxamide (CID 89463796) is N-[4-[[3-[(5-chloro-2-pyridinyl)oxy]phenyl]methylidene]cyclohexyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[4-[[3-[(5-chloro-2-pyridinyl)oxy]phenyl]methylidene]cyclohexyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[4-[[3-[(5-chloro-2-pyridinyl)oxy]phenyl]methylidene]cyclohexyl]-1H-pyrazole-4-carboxamide is O=C(NC1CCC(=Cc2cccc(Oc3ccc(Cl)cn3)c2)CC1)c1cn[nH]c1.
What is the InChIKey of N-[4-[[3-[(5-chloro-2-pyridinyl)oxy]phenyl]methylidene]cyclohexyl]-1H-pyrazole-4-carboxamide?
The InChIKey is XQFWAKLXWAADJN-GDNBJRDFSA-N. The full InChI is InChI=1S/C22H21ClN4O2/c23-18-6-9-21(24-14-18)29-20-3-1-2-16(11-20)10-15-4-7-19(8-5-15)27-22(28)17-12-25-26-13-17/h1-3,6,9-14,19H,4-5,7-8H2,(H,25,26)(H,27,28)/b15-10-.
What are the key properties of N-[4-[[3-[(5-chloro-2-pyridinyl)oxy]phenyl]methylidene]cyclohexyl]-1H-pyrazole-4-carboxamide?
N-[4-[[3-[(5-chloro-2-pyridinyl)oxy]phenyl]methylidene]cyclohexyl]-1H-pyrazole-4-carboxamide has a molecular weight of 408.89 g/mol, XLogP of 5.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-[(5-chloro-2-pyridinyl)oxy]phenyl]methylidene]cyclohexyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 89463796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).