N-methyl-N-phenyl-6-pyrrolidin-1-ylpyridazine-3-carboxamide

C16H18N4O — CID 109111797

IUPACN-methyl-N-phenyl-6-pyrrolidin-1-ylpyridazine-3-carboxamide
SMILESCN(C(=O)c1ccc(N2CCCC2)nn1)c1ccccc1
InChIInChI=1S/C16H18N4O/c1-19(13-7-3-2-4-8-13)16(21)14-9-10-15(18-17-14)20-11-5-6-12-20/h2-4,7-10H,5-6,11-12H2,1H3
InChIKeyPTMGYOBLMBJRJM-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.35
Rot. Bonds3

About N-methyl-N-phenyl-6-pyrrolidin-1-ylpyridazine-3-carboxamide

N-methyl-N-phenyl-6-pyrrolidin-1-ylpyridazine-3-carboxamide (PubChem CID 109111797) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is N-methyl-N-phenyl-6-pyrrolidin-1-ylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-phenyl-6-pyrrolidin-1-ylpyridazine-3-carboxamide
PubChem CID109111797
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC NameN-methyl-N-phenyl-6-pyrrolidin-1-ylpyridazine-3-carboxamide
SMILESCN(C(=O)c1ccc(N2CCCC2)nn1)c1ccccc1
InChIInChI=1S/C16H18N4O/c1-19(13-7-3-2-4-8-13)16(21)14-9-10-15(18-17-14)20-11-5-6-12-20/h2-4,7-10H,5-6,11-12H2,1H3
InChIKeyPTMGYOBLMBJRJM-UHFFFAOYSA-N
XLogP2.35
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-formylpiperazin-1-yl)-N-methyl-N-phenylpyridazine-3-carboxamide
CID 109116837
N-benzyl-N-methyl-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 71778492
N-methyl-N-(1-methylbenzimidazol-2-yl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 154736677
6-(azepan-1-yl)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide
CID 112847677
N-methyl-1-(6-methylpyridazin-3-yl)-N-phenylpiperidine-4-carboxamide
CID 121118902
N-benzyl-N-(2-phenylethyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 121027787
N-methyl-N-phenyl-6-propan-2-ylpyridazine-3-carboxamide
CID 113200408
N-methyl-N-phenyl-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 36676473
N-(1,1-dioxothiolan-3-yl)-N-methyl-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 109111762
N-methyl-N-phenyl-2-piperidin-1-ylpyridine-3-carboxamide
CID 84571145
6-(4-phenylpiperazin-1-yl)-N,N-dipropylpyridazine-3-carboxamide
CID 109123102
N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 136524921

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenyl-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The IUPAC name of N-methyl-N-phenyl-6-pyrrolidin-1-ylpyridazine-3-carboxamide (CID 109111797) is N-methyl-N-phenyl-6-pyrrolidin-1-ylpyridazine-3-carboxamide.
What is the SMILES notation for N-methyl-N-phenyl-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The canonical SMILES for N-methyl-N-phenyl-6-pyrrolidin-1-ylpyridazine-3-carboxamide is CN(C(=O)c1ccc(N2CCCC2)nn1)c1ccccc1.
What is the InChIKey of N-methyl-N-phenyl-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The InChIKey is PTMGYOBLMBJRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-19(13-7-3-2-4-8-13)16(21)14-9-10-15(18-17-14)20-11-5-6-12-20/h2-4,7-10H,5-6,11-12H2,1H3.
What are the key properties of N-methyl-N-phenyl-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
N-methyl-N-phenyl-6-pyrrolidin-1-ylpyridazine-3-carboxamide has a molecular weight of 282.35 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenyl-6-pyrrolidin-1-ylpyridazine-3-carboxamide is sourced from PubChem (CID 109111797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).