5-(ethylamino)-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide

C22H21N7O3 — CID 52944121

IUPAC5-(ethylamino)-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCCNc1c(C(=O)Nc2cc(C(=O)Nc3ccon3)ccc2C)cnn1-c1ccccn1
InChIInChI=1S/C22H21N7O3/c1-3-23-20-16(13-25-29(20)19-6-4-5-10-24-19)22(31)26-17-12-15(8-7-14(17)2)21(30)27-18-9-11-32-28-18/h4-13,23H,3H2,1-2H3,(H,26,31)(H,27,28,30)
InChIKeyOLHKOMUYMQKXIO-UHFFFAOYSA-N
MW431.46 g/mol
LogP3.50
Rot. Bonds7

About 5-(ethylamino)-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide

5-(ethylamino)-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide (PubChem CID 52944121) has the molecular formula C22H21N7O3 and a molecular weight of 431.46 g/mol. Its IUPAC name is 5-(ethylamino)-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(ethylamino)-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide
PubChem CID52944121
Molecular FormulaC22H21N7O3
Molecular Weight431.46 g/mol
Exact Mass431.17
IUPAC Name5-(ethylamino)-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCCNc1c(C(=O)Nc2cc(C(=O)Nc3ccon3)ccc2C)cnn1-c1ccccn1
InChIInChI=1S/C22H21N7O3/c1-3-23-20-16(13-25-29(20)19-6-4-5-10-24-19)22(31)26-17-12-15(8-7-14(17)2)21(30)27-18-9-11-32-28-18/h4-13,23H,3H2,1-2H3,(H,26,31)(H,27,28,30)
InChIKeyOLHKOMUYMQKXIO-UHFFFAOYSA-N
XLogP3.50
TPSA126.97 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.46
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

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CID 49838879
3-{[2-amino-5-cyano-6-(cyclopentylamino)pyrimidin-4-yl]amino}-N-isoxazol-3-yl-4-methylbenzamide
CID 11668884
3-({2-amino-5-cyano-6-[(1-methylethyl)amino]pyrimidin-4-yl}amino)-N-isoxazol-3-yl-4-methylbenzamide
CID 11710888
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CID 16730109
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CID 25118573
5-(ethylamino)-N-(5-(isoxazol-3-ylcarbamoyl)-2-methylphenyl)-1-o-tolyl-1H-pyrazole-4-carboxamide
CID 52948828
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3-[(6-benzoyl-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-4-methyl-N-(1,2-oxazol-3-yl)benzamide
CID 10389147

Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide?
The IUPAC name of 5-(ethylamino)-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide (CID 52944121) is 5-(ethylamino)-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 5-(ethylamino)-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 5-(ethylamino)-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide is CCNc1c(C(=O)Nc2cc(C(=O)Nc3ccon3)ccc2C)cnn1-c1ccccn1.
What is the InChIKey of 5-(ethylamino)-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide?
The InChIKey is OLHKOMUYMQKXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O3/c1-3-23-20-16(13-25-29(20)19-6-4-5-10-24-19)22(31)26-17-12-15(8-7-14(17)2)21(30)27-18-9-11-32-28-18/h4-13,23H,3H2,1-2H3,(H,26,31)(H,27,28,30).
What are the key properties of 5-(ethylamino)-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide?
5-(ethylamino)-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide has a molecular weight of 431.46 g/mol, XLogP of 3.50, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 52944121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).