(2R)-2-methoxy-2-(3-methoxyphenyl)-N-[6-[(3R)-3-(pyridazin-3-ylamino)pyrrolidin-1-yl]pyridazin-3-yl]acetamide

C22H25N7O3 — CID 129161539

IUPAC(2R)-2-methoxy-2-(3-methoxyphenyl)-N-[6-[(3R)-3-(pyridazin-3-ylamino)pyrrolidin-1-yl]pyridazin-3-yl]acetamide
SMILESCOc1cccc([C@@H](OC)C(=O)Nc2ccc(N3CC[C@@H](Nc4cccnn4)C3)nn2)c1
InChIInChI=1S/C22H25N7O3/c1-31-17-6-3-5-15(13-17)21(32-2)22(30)25-19-8-9-20(28-27-19)29-12-10-16(14-29)24-18-7-4-11-23-26-18/h3-9,11,13,16,21H,10,12,14H2,1-2H3,(H,24,26)(H,25,27,30)/t16-,21-/m1/s1
InChIKeyRJOPJBXFAUPDHA-IIBYNOLFSA-N
MW435.49 g/mol
LogP2.29
Rot. Bonds8

About (2R)-2-methoxy-2-(3-methoxyphenyl)-N-[6-[(3R)-3-(pyridazin-3-ylamino)pyrrolidin-1-yl]pyridazin-3-yl]acetamide

(2R)-2-methoxy-2-(3-methoxyphenyl)-N-[6-[(3R)-3-(pyridazin-3-ylamino)pyrrolidin-1-yl]pyridazin-3-yl]acetamide (PubChem CID 129161539) has the molecular formula C22H25N7O3 and a molecular weight of 435.49 g/mol. Its IUPAC name is (2R)-2-methoxy-2-(3-methoxyphenyl)-N-[6-[(3R)-3-(pyridazin-3-ylamino)pyrrolidin-1-yl]pyridazin-3-yl]acetamide.

Molecular Properties

Compound Name(2R)-2-methoxy-2-(3-methoxyphenyl)-N-[6-[(3R)-3-(pyridazin-3-ylamino)pyrrolidin-1-yl]pyridazin-3-yl]acetamide
PubChem CID129161539
Molecular FormulaC22H25N7O3
Molecular Weight435.49 g/mol
Exact Mass435.20
IUPAC Name(2R)-2-methoxy-2-(3-methoxyphenyl)-N-[6-[(3R)-3-(pyridazin-3-ylamino)pyrrolidin-1-yl]pyridazin-3-yl]acetamide
SMILESCOc1cccc([C@@H](OC)C(=O)Nc2ccc(N3CC[C@@H](Nc4cccnn4)C3)nn2)c1
InChIInChI=1S/C22H25N7O3/c1-31-17-6-3-5-15(13-17)21(32-2)22(30)25-19-8-9-20(28-27-19)29-12-10-16(14-29)24-18-7-4-11-23-26-18/h3-9,11,13,16,21H,10,12,14H2,1-2H3,(H,24,26)(H,25,27,30)/t16-,21-/m1/s1
InChIKeyRJOPJBXFAUPDHA-IIBYNOLFSA-N
XLogP2.29
TPSA114.39 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.49
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

(2R)-2-methoxy-N-[6-[(3R)-3-(pyridazin-3-ylamino)pyrrolidin-1-yl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 129161544
(2R)-2-methoxy-2-(3-methoxyphenyl)-N-[6-[(3S)-3-(pyridazin-3-ylmethyl)pyrrolidin-1-yl]pyridazin-3-yl]acetamide
CID 159689976
(2R)-2-[3-(difluoromethoxy)phenyl]-2-methoxy-N-[6-[(3S)-3-(pyridazin-3-ylmethyl)pyrrolidin-1-yl]pyridazin-3-yl]acetamide
CID 158686121
2-(3,5-dimethoxyphenyl)-2-methoxy-N-[5-[[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]acetamide
CID 154584195
(2R)-2-methoxy-2-(3-methoxyphenyl)-N-[5-[[(3R)-1-(1,2,4-triazin-6-yl)pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]acetamide
CID 130203440
(2R)-2-methoxy-2-phenyl-N-[6-[[(3R)-1-(7H-pyrrolo[2,3-c]pyridazin-3-yl)pyrrolidin-3-yl]amino]pyridazin-3-yl]acetamide
CID 167432221
N-[6-[[1-[6-(3,3-difluorocyclobutyl)-7H-pyrrolo[2,3-c]pyridazin-3-yl]pyrrolidin-3-yl]amino]pyridazin-3-yl]-2-methoxy-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 175425652
2-(3,5-dimethoxyphenyl)-2-methoxy-N-[5-[[1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]acetamide
CID 129199691
N-[6-[[(3R)-1-(1,3-benzothiazol-2-yl)pyrrolidin-3-yl]amino]pyridazin-3-yl]-2-methoxy-2-phenylacetamide
CID 175425619
(2R)-2-(3,5-dimethoxyphenyl)-2-ethoxy-N-[5-[[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]acetamide
CID 129161450
(2S)-2-[4-fluoro-3-(3-methoxyazetidin-1-yl)phenyl]-2-methoxy-N-[5-[(3R)-3-(pyridazin-3-ylamino)pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide
CID 129161440
(2R)-2-methoxy-N-[5-[[(3R)-1-(1,2,4-triazin-6-yl)pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 118554557

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methoxy-2-(3-methoxyphenyl)-N-[6-[(3R)-3-(pyridazin-3-ylamino)pyrrolidin-1-yl]pyridazin-3-yl]acetamide?
The IUPAC name of (2R)-2-methoxy-2-(3-methoxyphenyl)-N-[6-[(3R)-3-(pyridazin-3-ylamino)pyrrolidin-1-yl]pyridazin-3-yl]acetamide (CID 129161539) is (2R)-2-methoxy-2-(3-methoxyphenyl)-N-[6-[(3R)-3-(pyridazin-3-ylamino)pyrrolidin-1-yl]pyridazin-3-yl]acetamide.
What is the SMILES notation for (2R)-2-methoxy-2-(3-methoxyphenyl)-N-[6-[(3R)-3-(pyridazin-3-ylamino)pyrrolidin-1-yl]pyridazin-3-yl]acetamide?
The canonical SMILES for (2R)-2-methoxy-2-(3-methoxyphenyl)-N-[6-[(3R)-3-(pyridazin-3-ylamino)pyrrolidin-1-yl]pyridazin-3-yl]acetamide is COc1cccc([C@@H](OC)C(=O)Nc2ccc(N3CC[C@@H](Nc4cccnn4)C3)nn2)c1.
What is the InChIKey of (2R)-2-methoxy-2-(3-methoxyphenyl)-N-[6-[(3R)-3-(pyridazin-3-ylamino)pyrrolidin-1-yl]pyridazin-3-yl]acetamide?
The InChIKey is RJOPJBXFAUPDHA-IIBYNOLFSA-N. The full InChI is InChI=1S/C22H25N7O3/c1-31-17-6-3-5-15(13-17)21(32-2)22(30)25-19-8-9-20(28-27-19)29-12-10-16(14-29)24-18-7-4-11-23-26-18/h3-9,11,13,16,21H,10,12,14H2,1-2H3,(H,24,26)(H,25,27,30)/t16-,21-/m1/s1.
What are the key properties of (2R)-2-methoxy-2-(3-methoxyphenyl)-N-[6-[(3R)-3-(pyridazin-3-ylamino)pyrrolidin-1-yl]pyridazin-3-yl]acetamide?
(2R)-2-methoxy-2-(3-methoxyphenyl)-N-[6-[(3R)-3-(pyridazin-3-ylamino)pyrrolidin-1-yl]pyridazin-3-yl]acetamide has a molecular weight of 435.49 g/mol, XLogP of 2.29, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methoxy-2-(3-methoxyphenyl)-N-[6-[(3R)-3-(pyridazin-3-ylamino)pyrrolidin-1-yl]pyridazin-3-yl]acetamide is sourced from PubChem (CID 129161539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).