N-[4-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]phenyl]pyridine-3-carboxamide

C21H15FN4O2 — CID 155106365

IUPACN-[4-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(-c2cc(-c3cc(F)ccc3O)[nH]n2)cc1)c1cccnc1
InChIInChI=1S/C21H15FN4O2/c22-15-5-8-20(27)17(10-15)19-11-18(25-26-19)13-3-6-16(7-4-13)24-21(28)14-2-1-9-23-12-14/h1-12,27H,(H,24,28)(H,25,26)
InChIKeyLTHGUOHISMQDEK-UHFFFAOYSA-N
MW374.38 g/mol
LogP4.24
Rot. Bonds4

About N-[4-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]phenyl]pyridine-3-carboxamide

N-[4-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]phenyl]pyridine-3-carboxamide (PubChem CID 155106365) has the molecular formula C21H15FN4O2 and a molecular weight of 374.38 g/mol. Its IUPAC name is N-[4-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]phenyl]pyridine-3-carboxamide
PubChem CID155106365
Molecular FormulaC21H15FN4O2
Molecular Weight374.38 g/mol
Exact Mass374.12
IUPAC NameN-[4-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(-c2cc(-c3cc(F)ccc3O)[nH]n2)cc1)c1cccnc1
InChIInChI=1S/C21H15FN4O2/c22-15-5-8-20(27)17(10-15)19-11-18(25-26-19)13-3-6-16(7-4-13)24-21(28)14-2-1-9-23-12-14/h1-12,27H,(H,24,28)(H,25,26)
InChIKeyLTHGUOHISMQDEK-UHFFFAOYSA-N
XLogP4.24
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.38
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)pyridine-3-carboxamide;hydrochloride
CID 110756411
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3-fluoro-N-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]benzamide
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N-[3-(5-methyl-1H-pyrazol-3-yl)phenyl]pyridine-3-carboxamide
CID 110732494
N-(4-carbamoylphenyl)-3-pyridin-3-yl-1H-pyrazole-5-carboxamide
CID 71828964
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]pyridine-3-carboxamide
CID 40547504
N-[6-(4-fluoroanilino)pyridazin-3-yl]pyridine-3-carboxamide
CID 113047284
N-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]pyridine-3-carboxamide
CID 39184022
N-(4-chloro-3-fluorophenyl)pyridine-3-carboxamide
CID 47227911
N-(2,3-dihydro-1H-indol-5-yl)pyridine-3-carboxamide
CID 63253121

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[4-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]phenyl]pyridine-3-carboxamide (CID 155106365) is N-[4-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]phenyl]pyridine-3-carboxamide is O=C(Nc1ccc(-c2cc(-c3cc(F)ccc3O)[nH]n2)cc1)c1cccnc1.
What is the InChIKey of N-[4-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]phenyl]pyridine-3-carboxamide?
The InChIKey is LTHGUOHISMQDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN4O2/c22-15-5-8-20(27)17(10-15)19-11-18(25-26-19)13-3-6-16(7-4-13)24-21(28)14-2-1-9-23-12-14/h1-12,27H,(H,24,28)(H,25,26).
What are the key properties of N-[4-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]phenyl]pyridine-3-carboxamide?
N-[4-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]phenyl]pyridine-3-carboxamide has a molecular weight of 374.38 g/mol, XLogP of 4.24, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 155106365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).