5-(3-methyl-4-pyridinyl)-N-[2-oxo-1-phenyl-2-(1H-pyrazol-4-ylamino)ethyl]thiophene-2-carboxamide

C22H19N5O2S — CID 167783405

IUPAC5-(3-methyl-4-pyridinyl)-N-[2-oxo-1-phenyl-2-(1H-pyrazol-4-ylamino)ethyl]thiophene-2-carboxamide
SMILESCc1cnccc1-c1ccc(C(=O)NC(C(=O)Nc2cn[nH]c2)c2ccccc2)s1
InChIInChI=1S/C22H19N5O2S/c1-14-11-23-10-9-17(14)18-7-8-19(30-18)21(28)27-20(15-5-3-2-4-6-15)22(29)26-16-12-24-25-13-16/h2-13,20H,1H3,(H,24,25)(H,26,29)(H,27,28)
InChIKeyCZYLRGMUALUWFV-UHFFFAOYSA-N
MW417.49 g/mol
LogP3.95
Rot. Bonds6

About 5-(3-methyl-4-pyridinyl)-N-[2-oxo-1-phenyl-2-(1H-pyrazol-4-ylamino)ethyl]thiophene-2-carboxamide

5-(3-methyl-4-pyridinyl)-N-[2-oxo-1-phenyl-2-(1H-pyrazol-4-ylamino)ethyl]thiophene-2-carboxamide (PubChem CID 167783405) has the molecular formula C22H19N5O2S and a molecular weight of 417.49 g/mol. Its IUPAC name is 5-(3-methyl-4-pyridinyl)-N-[2-oxo-1-phenyl-2-(1H-pyrazol-4-ylamino)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(3-methyl-4-pyridinyl)-N-[2-oxo-1-phenyl-2-(1H-pyrazol-4-ylamino)ethyl]thiophene-2-carboxamide
PubChem CID167783405
Molecular FormulaC22H19N5O2S
Molecular Weight417.49 g/mol
Exact Mass417.13
IUPAC Name5-(3-methyl-4-pyridinyl)-N-[2-oxo-1-phenyl-2-(1H-pyrazol-4-ylamino)ethyl]thiophene-2-carboxamide
SMILESCc1cnccc1-c1ccc(C(=O)NC(C(=O)Nc2cn[nH]c2)c2ccccc2)s1
InChIInChI=1S/C22H19N5O2S/c1-14-11-23-10-9-17(14)18-7-8-19(30-18)21(28)27-20(15-5-3-2-4-6-15)22(29)26-16-12-24-25-13-16/h2-13,20H,1H3,(H,24,25)(H,26,29)(H,27,28)
InChIKeyCZYLRGMUALUWFV-UHFFFAOYSA-N
XLogP3.95
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-2-phenyl-N-(1H-pyrazol-4-yl)acetamide
CID 60968186
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CID 167873778
(2S)-2-amino-N-[4-(3-methyl-4-pyridinyl)phenyl]-3,3-diphenylpropanamide
CID 167525916
5-(3-methyl-4-pyridinyl)-N-(1-quinoxalin-2-ylpyrazol-4-yl)thiophene-2-carboxamide
CID 166218458
[3,3-dimethyl-1-phenyl-1-[[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carbonyl]amino]butan-2-yl]carbamic acid
CID 69102721
N-[5-methyl-1-(2-methylpropyl)pyrazol-4-yl]-5-(3-methyl-4-pyridinyl)thiophene-2-carboxamide
CID 166218469
methyl 5-methyl-2-[[2-phenyl-2-(pyridine-3-carbonylamino)acetyl]amino]-1,3-thiazole-4-carboxylate
CID 75356599
1-(1H-pyrazol-4-yl)-3-[(1S)-1-pyridin-4-ylethyl]urea
CID 95130503
2-amino-N-(1H-pyrazol-4-yl)propanamide
CID 43540259
ethyl 4-[5-[[2-(dimethylamino)-1-phenylethyl]carbamoyl]thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
CID 24802963
methyl 2-phenyl-2-(pyrazine-2-carbonylamino)acetate
CID 12580941
2,5-dimethyl-N-[(1R)-2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 5-(3-methyl-4-pyridinyl)-N-[2-oxo-1-phenyl-2-(1H-pyrazol-4-ylamino)ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-(3-methyl-4-pyridinyl)-N-[2-oxo-1-phenyl-2-(1H-pyrazol-4-ylamino)ethyl]thiophene-2-carboxamide (CID 167783405) is 5-(3-methyl-4-pyridinyl)-N-[2-oxo-1-phenyl-2-(1H-pyrazol-4-ylamino)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(3-methyl-4-pyridinyl)-N-[2-oxo-1-phenyl-2-(1H-pyrazol-4-ylamino)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-(3-methyl-4-pyridinyl)-N-[2-oxo-1-phenyl-2-(1H-pyrazol-4-ylamino)ethyl]thiophene-2-carboxamide is Cc1cnccc1-c1ccc(C(=O)NC(C(=O)Nc2cn[nH]c2)c2ccccc2)s1.
What is the InChIKey of 5-(3-methyl-4-pyridinyl)-N-[2-oxo-1-phenyl-2-(1H-pyrazol-4-ylamino)ethyl]thiophene-2-carboxamide?
The InChIKey is CZYLRGMUALUWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2S/c1-14-11-23-10-9-17(14)18-7-8-19(30-18)21(28)27-20(15-5-3-2-4-6-15)22(29)26-16-12-24-25-13-16/h2-13,20H,1H3,(H,24,25)(H,26,29)(H,27,28).
What are the key properties of 5-(3-methyl-4-pyridinyl)-N-[2-oxo-1-phenyl-2-(1H-pyrazol-4-ylamino)ethyl]thiophene-2-carboxamide?
5-(3-methyl-4-pyridinyl)-N-[2-oxo-1-phenyl-2-(1H-pyrazol-4-ylamino)ethyl]thiophene-2-carboxamide has a molecular weight of 417.49 g/mol, XLogP of 3.95, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methyl-4-pyridinyl)-N-[2-oxo-1-phenyl-2-(1H-pyrazol-4-ylamino)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 167783405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).