[3-[(6-phenylpyridazin-3-yl)amino]phenyl]-pyrrolidin-1-ylmethanone

C21H20N4O — CID 50778603

IUPAC[3-[(6-phenylpyridazin-3-yl)amino]phenyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cccc(Nc2ccc(-c3ccccc3)nn2)c1)N1CCCC1
InChIInChI=1S/C21H20N4O/c26-21(25-13-4-5-14-25)17-9-6-10-18(15-17)22-20-12-11-19(23-24-20)16-7-2-1-3-8-16/h1-3,6-12,15H,4-5,13-14H2,(H,22,24)
InChIKeySSJRQRWUXVRCTA-UHFFFAOYSA-N
MW344.42 g/mol
LogP4.12
Rot. Bonds4

About [3-[(6-phenylpyridazin-3-yl)amino]phenyl]-pyrrolidin-1-ylmethanone

[3-[(6-phenylpyridazin-3-yl)amino]phenyl]-pyrrolidin-1-ylmethanone (PubChem CID 50778603) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is [3-[(6-phenylpyridazin-3-yl)amino]phenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[3-[(6-phenylpyridazin-3-yl)amino]phenyl]-pyrrolidin-1-ylmethanone
PubChem CID50778603
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name[3-[(6-phenylpyridazin-3-yl)amino]phenyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cccc(Nc2ccc(-c3ccccc3)nn2)c1)N1CCCC1
InChIInChI=1S/C21H20N4O/c26-21(25-13-4-5-14-25)17-9-6-10-18(15-17)22-20-12-11-19(23-24-20)16-7-2-1-3-8-16/h1-3,6-12,15H,4-5,13-14H2,(H,22,24)
InChIKeySSJRQRWUXVRCTA-UHFFFAOYSA-N
XLogP4.12
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[(6-phenylpyrimidin-4-yl)amino]phenyl]-pyrrolidin-1-ylmethanone
CID 50783560
3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzoic acid
CID 25219798
N-(cyclopropylmethyl)-3-[(6-phenylpyridazin-3-yl)amino]benzamide
CID 164589480
N-(1-cyanocyclopropyl)-3-[(6-phenylpyridazin-3-yl)amino]benzamide
CID 164589837
[3-(methylamino)phenyl]-pyrrolidin-1-ylmethanone
CID 70790157
pyrrolidin-1-yl-[3-(2H-tetrazol-5-ylamino)phenyl]methanone
CID 155954252
(2S)-1-[4-[6-(3-chloroanilino)pyridazin-3-yl]benzoyl]piperidine-2-carboxylic acid
CID 66615913
azepan-1-yl-(6-phenylpyridazin-3-yl)methanone
CID 113200597
3-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 71189662
3-[(6-phenylpyridazin-3-yl)amino]-N-(2-pyridin-4-ylethyl)benzamide
CID 167404187
N-[3-(diethylamino)propyl]-3-[(6-phenylpyridazin-3-yl)amino]benzamide
CID 50778604
2-(4-phenylphenoxy)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 26161597

Frequently Asked Questions

What is the IUPAC name of [3-[(6-phenylpyridazin-3-yl)amino]phenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [3-[(6-phenylpyridazin-3-yl)amino]phenyl]-pyrrolidin-1-ylmethanone (CID 50778603) is [3-[(6-phenylpyridazin-3-yl)amino]phenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [3-[(6-phenylpyridazin-3-yl)amino]phenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [3-[(6-phenylpyridazin-3-yl)amino]phenyl]-pyrrolidin-1-ylmethanone is O=C(c1cccc(Nc2ccc(-c3ccccc3)nn2)c1)N1CCCC1.
What is the InChIKey of [3-[(6-phenylpyridazin-3-yl)amino]phenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is SSJRQRWUXVRCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c26-21(25-13-4-5-14-25)17-9-6-10-18(15-17)22-20-12-11-19(23-24-20)16-7-2-1-3-8-16/h1-3,6-12,15H,4-5,13-14H2,(H,22,24).
What are the key properties of [3-[(6-phenylpyridazin-3-yl)amino]phenyl]-pyrrolidin-1-ylmethanone?
[3-[(6-phenylpyridazin-3-yl)amino]phenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 344.42 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(6-phenylpyridazin-3-yl)amino]phenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 50778603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).