6-(4-acetamido-5-methyl-3-oxo-1H-pyrazol-2-yl)-N-(4-tert-butylphenyl)pyridine-3-carboxamide

C22H25N5O3 — CID 71766017

IUPAC6-(4-acetamido-5-methyl-3-oxo-1H-pyrazol-2-yl)-N-(4-tert-butylphenyl)pyridine-3-carboxamide
SMILESCC(=O)Nc1c(C)[nH]n(-c2ccc(C(=O)Nc3ccc(C(C)(C)C)cc3)cn2)c1=O
InChIInChI=1S/C22H25N5O3/c1-13-19(24-14(2)28)21(30)27(26-13)18-11-6-15(12-23-18)20(29)25-17-9-7-16(8-10-17)22(3,4)5/h6-12,26H,1-5H3,(H,24,28)(H,25,29)
InChIKeyXYIQIKIMWKXFLA-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.38
Rot. Bonds4

About 6-(4-acetamido-5-methyl-3-oxo-1H-pyrazol-2-yl)-N-(4-tert-butylphenyl)pyridine-3-carboxamide

6-(4-acetamido-5-methyl-3-oxo-1H-pyrazol-2-yl)-N-(4-tert-butylphenyl)pyridine-3-carboxamide (PubChem CID 71766017) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is 6-(4-acetamido-5-methyl-3-oxo-1H-pyrazol-2-yl)-N-(4-tert-butylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-acetamido-5-methyl-3-oxo-1H-pyrazol-2-yl)-N-(4-tert-butylphenyl)pyridine-3-carboxamide
PubChem CID71766017
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC Name6-(4-acetamido-5-methyl-3-oxo-1H-pyrazol-2-yl)-N-(4-tert-butylphenyl)pyridine-3-carboxamide
SMILESCC(=O)Nc1c(C)[nH]n(-c2ccc(C(=O)Nc3ccc(C(C)(C)C)cc3)cn2)c1=O
InChIInChI=1S/C22H25N5O3/c1-13-19(24-14(2)28)21(30)27(26-13)18-11-6-15(12-23-18)20(29)25-17-9-7-16(8-10-17)22(3,4)5/h6-12,26H,1-5H3,(H,24,28)(H,25,29)
InChIKeyXYIQIKIMWKXFLA-UHFFFAOYSA-N
XLogP3.38
TPSA108.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-acetamido-5-methyl-3-oxo-1H-pyrazol-2-yl)-N-(4-bromophenyl)pyridine-3-carboxamide
CID 71766016
N-(4-tert-butylphenyl)-6-[5-methyl-3-oxo-4-(2-oxopropyl)-1H-pyrazol-2-yl]pyridine-3-carboxamide
CID 148829808
N-(4-tert-butylphenyl)-6-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
CID 109154737
4-fluoro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzamide
CID 59407031
2-[5-[1-(4-tert-butylphenyl)ethenylamino]-2-pyridinyl]-5-methyl-1H-pyrazol-3-one
CID 89378119
N-(4-tert-butylphenyl)-6-phenylpyridine-3-carboxamide
CID 11450343
N-(4-tert-butylphenyl)-5-methyl-1H-imidazole-4-carboxamide
CID 110683972
methyl 4-[4-[5-[(4-tert-butylphenyl)carbamoyl]-2-pyridinyl]piperazine-1-carbonyl]cyclohexane-1-carboxylate
CID 59318026
N-[4-[(4-acetamidophenyl)carbamoyl]phenyl]-4-methylbenzamide
CID 2223178
N-(4-tert-butylphenyl)-4-phenylbenzamide
CID 7914209
N-[6-(4-tert-butylanilino)-3-pyridinyl]-4-methylbenzamide
CID 113018129
N-(4-tert-butylphenyl)-6-(pentylamino)pyridine-3-carboxamide
CID 109161313

Frequently Asked Questions

What is the IUPAC name of 6-(4-acetamido-5-methyl-3-oxo-1H-pyrazol-2-yl)-N-(4-tert-butylphenyl)pyridine-3-carboxamide?
The IUPAC name of 6-(4-acetamido-5-methyl-3-oxo-1H-pyrazol-2-yl)-N-(4-tert-butylphenyl)pyridine-3-carboxamide (CID 71766017) is 6-(4-acetamido-5-methyl-3-oxo-1H-pyrazol-2-yl)-N-(4-tert-butylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(4-acetamido-5-methyl-3-oxo-1H-pyrazol-2-yl)-N-(4-tert-butylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(4-acetamido-5-methyl-3-oxo-1H-pyrazol-2-yl)-N-(4-tert-butylphenyl)pyridine-3-carboxamide is CC(=O)Nc1c(C)[nH]n(-c2ccc(C(=O)Nc3ccc(C(C)(C)C)cc3)cn2)c1=O.
What is the InChIKey of 6-(4-acetamido-5-methyl-3-oxo-1H-pyrazol-2-yl)-N-(4-tert-butylphenyl)pyridine-3-carboxamide?
The InChIKey is XYIQIKIMWKXFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-13-19(24-14(2)28)21(30)27(26-13)18-11-6-15(12-23-18)20(29)25-17-9-7-16(8-10-17)22(3,4)5/h6-12,26H,1-5H3,(H,24,28)(H,25,29).
What are the key properties of 6-(4-acetamido-5-methyl-3-oxo-1H-pyrazol-2-yl)-N-(4-tert-butylphenyl)pyridine-3-carboxamide?
6-(4-acetamido-5-methyl-3-oxo-1H-pyrazol-2-yl)-N-(4-tert-butylphenyl)pyridine-3-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 3.38, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-acetamido-5-methyl-3-oxo-1H-pyrazol-2-yl)-N-(4-tert-butylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 71766017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).