6-[[1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]amino]-N-phenylpyridazine-3-carboxamide

C25H27N5O2 — CID 133441721

IUPAC6-[[1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]amino]-N-phenylpyridazine-3-carboxamide
SMILESCOc1cccc(C2C(Nc3ccc(C(=O)Nc4ccccc4)nn3)CCN2C2CC2)c1
InChIInChI=1S/C25H27N5O2/c1-32-20-9-5-6-17(16-20)24-21(14-15-30(24)19-10-11-19)27-23-13-12-22(28-29-23)25(31)26-18-7-3-2-4-8-18/h2-9,12-13,16,19,21,24H,10-11,14-15H2,1H3,(H,26,31)(H,27,29)
InChIKeyGSMIVTLGAMSHDA-UHFFFAOYSA-N
MW429.52 g/mol
LogP4.13
Rot. Bonds7

About 6-[[1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]amino]-N-phenylpyridazine-3-carboxamide

6-[[1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]amino]-N-phenylpyridazine-3-carboxamide (PubChem CID 133441721) has the molecular formula C25H27N5O2 and a molecular weight of 429.52 g/mol. Its IUPAC name is 6-[[1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]amino]-N-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[[1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]amino]-N-phenylpyridazine-3-carboxamide
PubChem CID133441721
Molecular FormulaC25H27N5O2
Molecular Weight429.52 g/mol
Exact Mass429.22
IUPAC Name6-[[1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]amino]-N-phenylpyridazine-3-carboxamide
SMILESCOc1cccc(C2C(Nc3ccc(C(=O)Nc4ccccc4)nn3)CCN2C2CC2)c1
InChIInChI=1S/C25H27N5O2/c1-32-20-9-5-6-17(16-20)24-21(14-15-30(24)19-10-11-19)27-23-13-12-22(28-29-23)25(31)26-18-7-3-2-4-8-18/h2-9,12-13,16,19,21,24H,10-11,14-15H2,1H3,(H,26,31)(H,27,29)
InChIKeyGSMIVTLGAMSHDA-UHFFFAOYSA-N
XLogP4.13
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-6-[[1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]amino]pyridine-3-carboxamide
CID 133441669
N-[1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]acetamide
CID 75499007
N-[1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133441735
N-[(2S,3S)-1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
CID 97340499
5-cyclopropyl-N-[1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130386462
N-[(2R,3R)-1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]-2-methyl-1H-pyrrole-3-carboxamide
CID 124616649
N-[(2R,3S)-1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]prop-2-enamide
CID 166408983
N-[1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]-2-(methylamino)acetamide
CID 120705840
N-[(2S,3S)-1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]-3-methylfuran-2-carboxamide
CID 98891363
4-[[1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]amino]-N-methyl-3-nitrobenzamide
CID 133441704
N-(3-methoxyphenyl)-6-(methylamino)pyridazine-3-carboxamide
CID 55042566
6-hydrazinyl-N-(3-methoxyphenyl)pyridazine-3-carboxamide
CID 55051032

Frequently Asked Questions

What is the IUPAC name of 6-[[1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]amino]-N-phenylpyridazine-3-carboxamide?
The IUPAC name of 6-[[1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]amino]-N-phenylpyridazine-3-carboxamide (CID 133441721) is 6-[[1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]amino]-N-phenylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[[1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]amino]-N-phenylpyridazine-3-carboxamide?
The canonical SMILES for 6-[[1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]amino]-N-phenylpyridazine-3-carboxamide is COc1cccc(C2C(Nc3ccc(C(=O)Nc4ccccc4)nn3)CCN2C2CC2)c1.
What is the InChIKey of 6-[[1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]amino]-N-phenylpyridazine-3-carboxamide?
The InChIKey is GSMIVTLGAMSHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O2/c1-32-20-9-5-6-17(16-20)24-21(14-15-30(24)19-10-11-19)27-23-13-12-22(28-29-23)25(31)26-18-7-3-2-4-8-18/h2-9,12-13,16,19,21,24H,10-11,14-15H2,1H3,(H,26,31)(H,27,29).
What are the key properties of 6-[[1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]amino]-N-phenylpyridazine-3-carboxamide?
6-[[1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]amino]-N-phenylpyridazine-3-carboxamide has a molecular weight of 429.52 g/mol, XLogP of 4.13, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]amino]-N-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 133441721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).