N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-chloropyridine-4-carboxamide

C11H10ClN5O2 — CID 47287788

IUPACN-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-chloropyridine-4-carboxamide
SMILESNC(=O)Cn1cc(NC(=O)c2ccnc(Cl)c2)cn1
InChIInChI=1S/C11H10ClN5O2/c12-9-3-7(1-2-14-9)11(19)16-8-4-15-17(5-8)6-10(13)18/h1-5H,6H2,(H2,13,18)(H,16,19)
InChIKeyMSXWKISNBAAJNA-UHFFFAOYSA-N
MW279.69 g/mol
LogP0.67
Rot. Bonds4

About N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-chloropyridine-4-carboxamide

N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-chloropyridine-4-carboxamide (PubChem CID 47287788) has the molecular formula C11H10ClN5O2 and a molecular weight of 279.69 g/mol. Its IUPAC name is N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-chloropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-chloropyridine-4-carboxamide
PubChem CID47287788
Molecular FormulaC11H10ClN5O2
Molecular Weight279.69 g/mol
Exact Mass279.05
IUPAC NameN-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-chloropyridine-4-carboxamide
SMILESNC(=O)Cn1cc(NC(=O)c2ccnc(Cl)c2)cn1
InChIInChI=1S/C11H10ClN5O2/c12-9-3-7(1-2-14-9)11(19)16-8-4-15-17(5-8)6-10(13)18/h1-5H,6H2,(H2,13,18)(H,16,19)
InChIKeyMSXWKISNBAAJNA-UHFFFAOYSA-N
XLogP0.67
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.69
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(1-ethylpyrazol-4-yl)pyridine-4-carboxamide
CID 35277482
4-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]benzamide
CID 43705831
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-pyridin-4-yloxybenzamide
CID 75371124
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2,5-dichlorothiophene-3-carboxamide
CID 146122700
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 47287779
N-[4-(2-amino-2-oxoethoxy)phenyl]-2-chloropyridine-4-carboxamide
CID 38383627
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-bromo-5-methylbenzamide
CID 104852202
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-4-bromo-2-hydroxybenzamide
CID 47466044
2-(aminomethyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-4-carboxamide
CID 114325867
3-chloro-N-(1-ethylpyrazol-4-yl)-4-hydroxybenzamide
CID 43429927
4-amino-3-hydroxy-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]benzamide
CID 107074249
2-[4-[[2-[4-(4-chlorobenzoyl)phenoxy]acetyl]amino]pyrazol-1-yl]acetamide
CID 55848282

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-chloropyridine-4-carboxamide?
The IUPAC name of N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-chloropyridine-4-carboxamide (CID 47287788) is N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-chloropyridine-4-carboxamide.
What is the SMILES notation for N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-chloropyridine-4-carboxamide?
The canonical SMILES for N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-chloropyridine-4-carboxamide is NC(=O)Cn1cc(NC(=O)c2ccnc(Cl)c2)cn1.
What is the InChIKey of N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-chloropyridine-4-carboxamide?
The InChIKey is MSXWKISNBAAJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN5O2/c12-9-3-7(1-2-14-9)11(19)16-8-4-15-17(5-8)6-10(13)18/h1-5H,6H2,(H2,13,18)(H,16,19).
What are the key properties of N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-chloropyridine-4-carboxamide?
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-chloropyridine-4-carboxamide has a molecular weight of 279.69 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-chloropyridine-4-carboxamide is sourced from PubChem (CID 47287788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).