1-(2-pyridazin-3-ylacetyl)pyrrolidine-2-carboxamide

C11H14N4O2 — CID 175878208

IUPAC1-(2-pyridazin-3-ylacetyl)pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1C(=O)Cc1cccnn1
InChIInChI=1S/C11H14N4O2/c12-11(17)9-4-2-6-15(9)10(16)7-8-3-1-5-13-14-8/h1,3,5,9H,2,4,6-7H2,(H2,12,17)
InChIKeySOJOPTCGMHCXJI-UHFFFAOYSA-N
MW234.26 g/mol
LogP-0.50
Rot. Bonds3

About 1-(2-pyridazin-3-ylacetyl)pyrrolidine-2-carboxamide

1-(2-pyridazin-3-ylacetyl)pyrrolidine-2-carboxamide (PubChem CID 175878208) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 1-(2-pyridazin-3-ylacetyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-pyridazin-3-ylacetyl)pyrrolidine-2-carboxamide
PubChem CID175878208
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name1-(2-pyridazin-3-ylacetyl)pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1C(=O)Cc1cccnn1
InChIInChI=1S/C11H14N4O2/c12-11(17)9-4-2-6-15(9)10(16)7-8-3-1-5-13-14-8/h1,3,5,9H,2,4,6-7H2,(H2,12,17)
InChIKeySOJOPTCGMHCXJI-UHFFFAOYSA-N
XLogP-0.50
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[2-(1,3-thiazol-4-yl)acetyl]pyrrolidine-2-carboxamide
CID 154742388
(2R)-1-[2-(1-propan-2-ylpyrazol-3-yl)acetyl]pyrrolidine-2-carboxamide
CID 138023677
2-[2-(2-carbamoylpyrrolidin-1-yl)-2-oxoethyl]benzoic acid
CID 71692047
(2R)-1-[2-[2-(trifluoromethyl)phenyl]acetyl]pyrrolidine-2-carboxamide
CID 124606525
1-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxamide
CID 56922956
1-[2-(1-ethylpyrazol-3-yl)acetyl]piperidine-2-carboxamide
CID 136549864
1-[2-(4-carbamothioylphenyl)acetyl]pyrrolidine-2-carboxamide
CID 63591025
(2S)-N-[(S)-(3-fluoro-4-propan-2-ylphenyl)-phenylmethyl]-1-(2-pyridazin-3-ylacetyl)pyrrolidine-2-carboxamide
CID 170413362
(2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxamide;hydrochloride
CID 175720359
1-(2-anilinoacetyl)pyrrolidine-2-carboxamide
CID 60860590
(2R)-1-propanoylpyrrolidine-2-carboxamide
CID 92979578
1-(2-cyclopropylacetyl)pyrrolidine-2-carboxamide
CID 89120166

Frequently Asked Questions

What is the IUPAC name of 1-(2-pyridazin-3-ylacetyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(2-pyridazin-3-ylacetyl)pyrrolidine-2-carboxamide (CID 175878208) is 1-(2-pyridazin-3-ylacetyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2-pyridazin-3-ylacetyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2-pyridazin-3-ylacetyl)pyrrolidine-2-carboxamide is NC(=O)C1CCCN1C(=O)Cc1cccnn1.
What is the InChIKey of 1-(2-pyridazin-3-ylacetyl)pyrrolidine-2-carboxamide?
The InChIKey is SOJOPTCGMHCXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c12-11(17)9-4-2-6-15(9)10(16)7-8-3-1-5-13-14-8/h1,3,5,9H,2,4,6-7H2,(H2,12,17).
What are the key properties of 1-(2-pyridazin-3-ylacetyl)pyrrolidine-2-carboxamide?
1-(2-pyridazin-3-ylacetyl)pyrrolidine-2-carboxamide has a molecular weight of 234.26 g/mol, XLogP of -0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyridazin-3-ylacetyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 175878208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).