N-(4-phenoxyphenyl)-5-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carboxamide

C24H22N4O2 — CID 117093020

IUPACN-(4-phenoxyphenyl)-5-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carboxamide
SMILESCc1nn(C)c(C)c1-c1cncc(C(=O)Nc2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C24H22N4O2/c1-16-23(17(2)28(3)27-16)18-13-19(15-25-14-18)24(29)26-20-9-11-22(12-10-20)30-21-7-5-4-6-8-21/h4-15H,1-3H3,(H,26,29)
InChIKeyVBFVITYXILYIMG-UHFFFAOYSA-N
MW398.47 g/mol
LogP5.14
Rot. Bonds5

About N-(4-phenoxyphenyl)-5-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carboxamide

N-(4-phenoxyphenyl)-5-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carboxamide (PubChem CID 117093020) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is N-(4-phenoxyphenyl)-5-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-phenoxyphenyl)-5-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carboxamide
PubChem CID117093020
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC NameN-(4-phenoxyphenyl)-5-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carboxamide
SMILESCc1nn(C)c(C)c1-c1cncc(C(=O)Nc2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C24H22N4O2/c1-16-23(17(2)28(3)27-16)18-13-19(15-25-14-18)24(29)26-20-9-11-22(12-10-20)30-21-7-5-4-6-8-21/h4-15H,1-3H3,(H,26,29)
InChIKeyVBFVITYXILYIMG-UHFFFAOYSA-N
XLogP5.14
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.47
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-3-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(5-methyl-1-phenyl-1H-pyrazol-4-yl)formamido]propanamide
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2,5-Dihydro-2-(4-methoxyphenyl)-3H-pyrazolo(4,3-c)quinolin-3-one
CID 100812
2-(4-Methoxy-phenyl)-2,5,6,7,8,9-hexahydro-pyrazolo[4,3-c]quinolin-3-one
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N-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)H-pyrazolo[1,5-a]pyridine-3-carboxamide
CID 11057969
1-methyl-4-(pyridin-4-ylmethylamino)-N-(4-(trifluoromethoxy)phenyl)-1H-pyrazole-5-carboxamide
CID 44439466
N-(4-methoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
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CID 1235939
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2,5-Dihydro-2-(4-methoxyphenyl)-7-phenyl-4H-pyrazolo(3,4-d)pyridazin-4-one
CID 6409092
3-(4-chlorophenyl)-N-(4-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-phenoxyphenyl)-5-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carboxamide?
The IUPAC name of N-(4-phenoxyphenyl)-5-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carboxamide (CID 117093020) is N-(4-phenoxyphenyl)-5-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-phenoxyphenyl)-5-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(4-phenoxyphenyl)-5-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carboxamide is Cc1nn(C)c(C)c1-c1cncc(C(=O)Nc2ccc(Oc3ccccc3)cc2)c1.
What is the InChIKey of N-(4-phenoxyphenyl)-5-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carboxamide?
The InChIKey is VBFVITYXILYIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c1-16-23(17(2)28(3)27-16)18-13-19(15-25-14-18)24(29)26-20-9-11-22(12-10-20)30-21-7-5-4-6-8-21/h4-15H,1-3H3,(H,26,29).
What are the key properties of N-(4-phenoxyphenyl)-5-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carboxamide?
N-(4-phenoxyphenyl)-5-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carboxamide has a molecular weight of 398.47 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenoxyphenyl)-5-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 117093020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).