4-[(2-chloro-5-fluorophenoxy)methyl]-N-[4-(pyrazol-1-ylmethyl)phenyl]pyridine-2-carboxamide

C23H18ClFN4O2 — CID 69072612

IUPAC4-[(2-chloro-5-fluorophenoxy)methyl]-N-[4-(pyrazol-1-ylmethyl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(Cn2cccn2)cc1)c1cc(COc2cc(F)ccc2Cl)ccn1
InChIInChI=1S/C23H18ClFN4O2/c24-20-7-4-18(25)13-22(20)31-15-17-8-10-26-21(12-17)23(30)28-19-5-2-16(3-6-19)14-29-11-1-9-27-29/h1-13H,14-15H2,(H,28,30)
InChIKeyHKEBHQORYXUIKD-UHFFFAOYSA-N
MW436.87 g/mol
LogP4.95
Rot. Bonds7

About 4-[(2-chloro-5-fluorophenoxy)methyl]-N-[4-(pyrazol-1-ylmethyl)phenyl]pyridine-2-carboxamide

4-[(2-chloro-5-fluorophenoxy)methyl]-N-[4-(pyrazol-1-ylmethyl)phenyl]pyridine-2-carboxamide (PubChem CID 69072612) has the molecular formula C23H18ClFN4O2 and a molecular weight of 436.87 g/mol. Its IUPAC name is 4-[(2-chloro-5-fluorophenoxy)methyl]-N-[4-(pyrazol-1-ylmethyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[(2-chloro-5-fluorophenoxy)methyl]-N-[4-(pyrazol-1-ylmethyl)phenyl]pyridine-2-carboxamide
PubChem CID69072612
Molecular FormulaC23H18ClFN4O2
Molecular Weight436.87 g/mol
Exact Mass436.11
IUPAC Name4-[(2-chloro-5-fluorophenoxy)methyl]-N-[4-(pyrazol-1-ylmethyl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(Cn2cccn2)cc1)c1cc(COc2cc(F)ccc2Cl)ccn1
InChIInChI=1S/C23H18ClFN4O2/c24-20-7-4-18(25)13-22(20)31-15-17-8-10-26-21(12-17)23(30)28-19-5-2-16(3-6-19)14-29-11-1-9-27-29/h1-13H,14-15H2,(H,28,30)
InChIKeyHKEBHQORYXUIKD-UHFFFAOYSA-N
XLogP4.95
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.87
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3-fluorophenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]pyridine-2-carboxamide
CID 69072215
4-[(2-chlorophenoxy)methyl]-N-[1-(3-pyrrol-1-ylpropyl)pyrazol-4-yl]pyridine-2-carboxamide
CID 69075285
4-[(2,5-dichlorophenoxy)methyl]-N-[1-(4-fluorobutyl)pyrazol-4-yl]pyridine-2-carboxamide
CID 69070605
N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-4-[[2-fluoro-5-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxamide
CID 69070537
N-[4-(pyrazol-1-ylmethyl)phenyl]-1H-pyrazole-4-carboxamide
CID 60934045
4-[(2,5-dichlorophenoxy)methyl]-N-(4,6-dimethyl-2-pyridinyl)pyridine-2-carboxamide
CID 69071864
1-[(2-chloro-5-methylphenoxy)methyl]-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-3-carboxamide
CID 19275649
1-[(2-chloro-5-fluorophenyl)methyl]pyrazole
CID 102620264
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-[(2,4-difluorophenoxy)methyl]benzamide
CID 19407715
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-4-[(2-chloro-5-methylphenoxy)methyl]benzamide
CID 19336064
N-[4-(2-hydroxyethoxy)phenyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 111116122
2-[(4-chlorophenyl)methoxy]-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 16573030

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-5-fluorophenoxy)methyl]-N-[4-(pyrazol-1-ylmethyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 4-[(2-chloro-5-fluorophenoxy)methyl]-N-[4-(pyrazol-1-ylmethyl)phenyl]pyridine-2-carboxamide (CID 69072612) is 4-[(2-chloro-5-fluorophenoxy)methyl]-N-[4-(pyrazol-1-ylmethyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-[(2-chloro-5-fluorophenoxy)methyl]-N-[4-(pyrazol-1-ylmethyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 4-[(2-chloro-5-fluorophenoxy)methyl]-N-[4-(pyrazol-1-ylmethyl)phenyl]pyridine-2-carboxamide is O=C(Nc1ccc(Cn2cccn2)cc1)c1cc(COc2cc(F)ccc2Cl)ccn1.
What is the InChIKey of 4-[(2-chloro-5-fluorophenoxy)methyl]-N-[4-(pyrazol-1-ylmethyl)phenyl]pyridine-2-carboxamide?
The InChIKey is HKEBHQORYXUIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClFN4O2/c24-20-7-4-18(25)13-22(20)31-15-17-8-10-26-21(12-17)23(30)28-19-5-2-16(3-6-19)14-29-11-1-9-27-29/h1-13H,14-15H2,(H,28,30).
What are the key properties of 4-[(2-chloro-5-fluorophenoxy)methyl]-N-[4-(pyrazol-1-ylmethyl)phenyl]pyridine-2-carboxamide?
4-[(2-chloro-5-fluorophenoxy)methyl]-N-[4-(pyrazol-1-ylmethyl)phenyl]pyridine-2-carboxamide has a molecular weight of 436.87 g/mol, XLogP of 4.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-5-fluorophenoxy)methyl]-N-[4-(pyrazol-1-ylmethyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 69072612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).