N-[1-(2-methoxyethyl)pyrazol-4-yl]-6-oxo-1H-pyridine-3-carboxamide

C12H14N4O3 — CID 61067363

IUPACN-[1-(2-methoxyethyl)pyrazol-4-yl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCOCCn1cc(NC(=O)c2ccc(=O)[nH]c2)cn1
InChIInChI=1S/C12H14N4O3/c1-19-5-4-16-8-10(7-14-16)15-12(18)9-2-3-11(17)13-6-9/h2-3,6-8H,4-5H2,1H3,(H,13,17)(H,15,18)
InChIKeyVRFOVASGKWIBMC-UHFFFAOYSA-N
MW262.27 g/mol
LogP0.47
Rot. Bonds5

About N-[1-(2-methoxyethyl)pyrazol-4-yl]-6-oxo-1H-pyridine-3-carboxamide

N-[1-(2-methoxyethyl)pyrazol-4-yl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 61067363) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is N-[1-(2-methoxyethyl)pyrazol-4-yl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methoxyethyl)pyrazol-4-yl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID61067363
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC NameN-[1-(2-methoxyethyl)pyrazol-4-yl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCOCCn1cc(NC(=O)c2ccc(=O)[nH]c2)cn1
InChIInChI=1S/C12H14N4O3/c1-19-5-4-16-8-10(7-14-16)15-12(18)9-2-3-11(17)13-6-9/h2-3,6-8H,4-5H2,1H3,(H,13,17)(H,15,18)
InChIKeyVRFOVASGKWIBMC-UHFFFAOYSA-N
XLogP0.47
TPSA89.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 47287779
4-(bromomethyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide
CID 102851174
6-oxo-N-(1-propan-2-ylpyrazol-4-yl)-1H-pyridine-3-carboxamide
CID 62904281
2,6-dihydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide
CID 103749044
2-(aminomethyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-4-carboxamide
CID 114325867
(2R)-2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]propanamide;hydrochloride
CID 119292252
2-bromo-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide
CID 54878147
N-[1-(2-methoxyethyl)pyrazol-4-yl]but-2-enamide
CID 78968035
2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-methylbutanamide;hydrochloride
CID 119292257
5-hydrazinyl-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrazine-2-carboxamide
CID 107377908
3-chloro-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-4-carboxamide
CID 66482554
4-chloro-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide
CID 19411114

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyethyl)pyrazol-4-yl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[1-(2-methoxyethyl)pyrazol-4-yl]-6-oxo-1H-pyridine-3-carboxamide (CID 61067363) is N-[1-(2-methoxyethyl)pyrazol-4-yl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(2-methoxyethyl)pyrazol-4-yl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[1-(2-methoxyethyl)pyrazol-4-yl]-6-oxo-1H-pyridine-3-carboxamide is COCCn1cc(NC(=O)c2ccc(=O)[nH]c2)cn1.
What is the InChIKey of N-[1-(2-methoxyethyl)pyrazol-4-yl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is VRFOVASGKWIBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-19-5-4-16-8-10(7-14-16)15-12(18)9-2-3-11(17)13-6-9/h2-3,6-8H,4-5H2,1H3,(H,13,17)(H,15,18).
What are the key properties of N-[1-(2-methoxyethyl)pyrazol-4-yl]-6-oxo-1H-pyridine-3-carboxamide?
N-[1-(2-methoxyethyl)pyrazol-4-yl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 262.27 g/mol, XLogP of 0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyethyl)pyrazol-4-yl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 61067363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).