N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-pyridin-4-yloxybenzamide

C17H15N5O3 — CID 75371124

IUPACN-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-pyridin-4-yloxybenzamide
SMILESNC(=O)Cn1cc(NC(=O)c2cccc(Oc3ccncc3)c2)cn1
InChIInChI=1S/C17H15N5O3/c18-16(23)11-22-10-13(9-20-22)21-17(24)12-2-1-3-15(8-12)25-14-4-6-19-7-5-14/h1-10H,11H2,(H2,18,23)(H,21,24)
InChIKeyCJAHHUUEWLAECH-UHFFFAOYSA-N
MW337.34 g/mol
LogP1.81
Rot. Bonds6

About N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-pyridin-4-yloxybenzamide

N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-pyridin-4-yloxybenzamide (PubChem CID 75371124) has the molecular formula C17H15N5O3 and a molecular weight of 337.34 g/mol. Its IUPAC name is N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-pyridin-4-yloxybenzamide.

Molecular Properties

Compound NameN-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-pyridin-4-yloxybenzamide
PubChem CID75371124
Molecular FormulaC17H15N5O3
Molecular Weight337.34 g/mol
Exact Mass337.12
IUPAC NameN-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-pyridin-4-yloxybenzamide
SMILESNC(=O)Cn1cc(NC(=O)c2cccc(Oc3ccncc3)c2)cn1
InChIInChI=1S/C17H15N5O3/c18-16(23)11-22-10-13(9-20-22)21-17(24)12-2-1-3-15(8-12)25-14-4-6-19-7-5-14/h1-10H,11H2,(H2,18,23)(H,21,24)
InChIKeyCJAHHUUEWLAECH-UHFFFAOYSA-N
XLogP1.81
TPSA112.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-chloropyridine-4-carboxamide
CID 47287788
4-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]benzamide
CID 43705831
3-(2-amino-2-oxoethoxy)-N-(1-benzylpyrazol-4-yl)benzamide
CID 134699731
N-(3-chloro-4-fluorophenyl)-3-pyridin-4-yloxybenzamide
CID 91103914
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-4-(pyridin-3-ylmethylsulfanyl)benzamide
CID 55847896
N-[4-[3-[4-(pyridine-4-carbonylamino)phenoxy]phenoxy]phenyl]pyridine-4-carboxamide
CID 1376699
N-[3-(methylamino)propyl]-3-pyridin-4-yloxybenzamide;dihydrochloride
CID 119429876
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 47287779
N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-3-pyrazin-2-yloxybenzamide
CID 136526765
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-bromo-5-methylbenzamide
CID 104852202
N-(2-amino-2-ethylbutyl)-3-pyridin-4-yloxybenzamide
CID 119640034
tert-butyl N-[3-[(3-pyridin-4-yloxyphenyl)carbamoyl]phenyl]carbamate
CID 157042654

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-pyridin-4-yloxybenzamide?
The IUPAC name of N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-pyridin-4-yloxybenzamide (CID 75371124) is N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-pyridin-4-yloxybenzamide.
What is the SMILES notation for N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-pyridin-4-yloxybenzamide?
The canonical SMILES for N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-pyridin-4-yloxybenzamide is NC(=O)Cn1cc(NC(=O)c2cccc(Oc3ccncc3)c2)cn1.
What is the InChIKey of N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-pyridin-4-yloxybenzamide?
The InChIKey is CJAHHUUEWLAECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O3/c18-16(23)11-22-10-13(9-20-22)21-17(24)12-2-1-3-15(8-12)25-14-4-6-19-7-5-14/h1-10H,11H2,(H2,18,23)(H,21,24).
What are the key properties of N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-pyridin-4-yloxybenzamide?
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-pyridin-4-yloxybenzamide has a molecular weight of 337.34 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-pyridin-4-yloxybenzamide is sourced from PubChem (CID 75371124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).