1-(2-amino-2-oxoethyl)-2-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]pyridine-3-carboxamide

C18H17N5O3 — CID 92635266

IUPAC1-(2-amino-2-oxoethyl)-2-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]pyridine-3-carboxamide
SMILESNC(=O)Cn1cccc(C(=O)Nc2cccc(Cn3cccn3)c2)c1=O
InChIInChI=1S/C18H17N5O3/c19-16(24)12-22-8-2-6-15(18(22)26)17(25)21-14-5-1-4-13(10-14)11-23-9-3-7-20-23/h1-10H,11-12H2,(H2,19,24)(H,21,25)
InChIKeyRBYCPOHVFAJEBK-UHFFFAOYSA-N
MW351.37 g/mol
LogP0.83
Rot. Bonds6

About 1-(2-amino-2-oxoethyl)-2-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]pyridine-3-carboxamide

1-(2-amino-2-oxoethyl)-2-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]pyridine-3-carboxamide (PubChem CID 92635266) has the molecular formula C18H17N5O3 and a molecular weight of 351.37 g/mol. Its IUPAC name is 1-(2-amino-2-oxoethyl)-2-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(2-amino-2-oxoethyl)-2-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]pyridine-3-carboxamide
PubChem CID92635266
Molecular FormulaC18H17N5O3
Molecular Weight351.37 g/mol
Exact Mass351.13
IUPAC Name1-(2-amino-2-oxoethyl)-2-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]pyridine-3-carboxamide
SMILESNC(=O)Cn1cccc(C(=O)Nc2cccc(Cn3cccn3)c2)c1=O
InChIInChI=1S/C18H17N5O3/c19-16(24)12-22-8-2-6-15(18(22)26)17(25)21-14-5-1-4-13(10-14)11-23-9-3-7-20-23/h1-10H,11-12H2,(H2,19,24)(H,21,25)
InChIKeyRBYCPOHVFAJEBK-UHFFFAOYSA-N
XLogP0.83
TPSA112.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(pyrazol-1-ylmethyl)phenyl]-2,1,3-benzothiadiazole-4-carboxamide
CID 42545419
2-amino-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 43697313
2-amino-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 43697329
1-benzyl-N-(3-bromophenyl)-2-oxopyridine-3-carboxamide
CID 7422670
1-oxido-N-[3-(pyrazol-1-ylmethyl)phenyl]pyridin-1-ium-2-carboxamide
CID 75532259
1-[(3-chlorophenyl)methyl]-N-(3,4-dichlorophenyl)-2-oxopyridine-3-carboxamide
CID 8670922
3-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]-4H-quinoxaline-6-carboxamide
CID 167797293
N-(3-acetylphenyl)-1-benzyl-2-oxopyridine-3-carboxamide
CID 7422689
1-(difluoromethyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-3-carboxamide
CID 19268564
N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19440185
3,5-dimethoxy-4-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 39695125
5-(4-fluorophenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide
CID 55612844

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-oxoethyl)-2-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 1-(2-amino-2-oxoethyl)-2-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]pyridine-3-carboxamide (CID 92635266) is 1-(2-amino-2-oxoethyl)-2-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 1-(2-amino-2-oxoethyl)-2-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 1-(2-amino-2-oxoethyl)-2-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]pyridine-3-carboxamide is NC(=O)Cn1cccc(C(=O)Nc2cccc(Cn3cccn3)c2)c1=O.
What is the InChIKey of 1-(2-amino-2-oxoethyl)-2-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is RBYCPOHVFAJEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3/c19-16(24)12-22-8-2-6-15(18(22)26)17(25)21-14-5-1-4-13(10-14)11-23-9-3-7-20-23/h1-10H,11-12H2,(H2,19,24)(H,21,25).
What are the key properties of 1-(2-amino-2-oxoethyl)-2-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]pyridine-3-carboxamide?
1-(2-amino-2-oxoethyl)-2-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 351.37 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-oxoethyl)-2-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 92635266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).