N-[6-[[(3R)-1-(1,3-benzothiazol-2-yl)pyrrolidin-3-yl]amino]pyridazin-3-yl]-2-methoxy-2-phenylacetamide

C24H24N6O2S — CID 175425619

IUPACN-[6-[[(3R)-1-(1,3-benzothiazol-2-yl)pyrrolidin-3-yl]amino]pyridazin-3-yl]-2-methoxy-2-phenylacetamide
SMILESCOC(C(=O)Nc1ccc(N[C@@H]2CCN(c3nc4ccccc4s3)C2)nn1)c1ccccc1
InChIInChI=1S/C24H24N6O2S/c1-32-22(16-7-3-2-4-8-16)23(31)27-21-12-11-20(28-29-21)25-17-13-14-30(15-17)24-26-18-9-5-6-10-19(18)33-24/h2-12,17,22H,13-15H2,1H3,(H,25,28)(H,27,29,31)/t17-,22?/m1/s1
InChIKeyGHCPSTBBLAJPRN-PLEWWHCXSA-N
MW460.56 g/mol
LogP4.10
Rot. Bonds7

About N-[6-[[(3R)-1-(1,3-benzothiazol-2-yl)pyrrolidin-3-yl]amino]pyridazin-3-yl]-2-methoxy-2-phenylacetamide

N-[6-[[(3R)-1-(1,3-benzothiazol-2-yl)pyrrolidin-3-yl]amino]pyridazin-3-yl]-2-methoxy-2-phenylacetamide (PubChem CID 175425619) has the molecular formula C24H24N6O2S and a molecular weight of 460.56 g/mol. Its IUPAC name is N-[6-[[(3R)-1-(1,3-benzothiazol-2-yl)pyrrolidin-3-yl]amino]pyridazin-3-yl]-2-methoxy-2-phenylacetamide.

Molecular Properties

Compound NameN-[6-[[(3R)-1-(1,3-benzothiazol-2-yl)pyrrolidin-3-yl]amino]pyridazin-3-yl]-2-methoxy-2-phenylacetamide
PubChem CID175425619
Molecular FormulaC24H24N6O2S
Molecular Weight460.56 g/mol
Exact Mass460.17
IUPAC NameN-[6-[[(3R)-1-(1,3-benzothiazol-2-yl)pyrrolidin-3-yl]amino]pyridazin-3-yl]-2-methoxy-2-phenylacetamide
SMILESCOC(C(=O)Nc1ccc(N[C@@H]2CCN(c3nc4ccccc4s3)C2)nn1)c1ccccc1
InChIInChI=1S/C24H24N6O2S/c1-32-22(16-7-3-2-4-8-16)23(31)27-21-12-11-20(28-29-21)25-17-13-14-30(15-17)24-26-18-9-5-6-10-19(18)33-24/h2-12,17,22H,13-15H2,1H3,(H,25,28)(H,27,29,31)/t17-,22?/m1/s1
InChIKeyGHCPSTBBLAJPRN-PLEWWHCXSA-N
XLogP4.10
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.56
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

(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
(2R)-2-methoxy-2-(3-methoxyphenyl)-N-[6-[(3R)-3-(pyridazin-3-ylamino)pyrrolidin-1-yl]pyridazin-3-yl]acetamide
CID 129161539
2-methoxy-2-phenyl-N-[5-[[1-(1,2,4-triazin-3-yl)pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]acetamide
CID 123401266
methyl 1-(1,3-benzothiazol-2-yl)piperidine-3-carboxylate
CID 113223222
(2R)-2-methoxy-N-[6-[(3R)-3-(pyridazin-3-ylamino)pyrrolidin-1-yl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 129161544
N-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-3-methylbutanamide
CID 56896130
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CID 121107882
methyl (2S)-1-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]pyrrolidine-2-carboxylate
CID 136589227
1-(1,3-benzothiazol-2-yl)-N-[1-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 3222659
1-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 90609959
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Frequently Asked Questions

What is the IUPAC name of N-[6-[[(3R)-1-(1,3-benzothiazol-2-yl)pyrrolidin-3-yl]amino]pyridazin-3-yl]-2-methoxy-2-phenylacetamide?
The IUPAC name of N-[6-[[(3R)-1-(1,3-benzothiazol-2-yl)pyrrolidin-3-yl]amino]pyridazin-3-yl]-2-methoxy-2-phenylacetamide (CID 175425619) is N-[6-[[(3R)-1-(1,3-benzothiazol-2-yl)pyrrolidin-3-yl]amino]pyridazin-3-yl]-2-methoxy-2-phenylacetamide.
What is the SMILES notation for N-[6-[[(3R)-1-(1,3-benzothiazol-2-yl)pyrrolidin-3-yl]amino]pyridazin-3-yl]-2-methoxy-2-phenylacetamide?
The canonical SMILES for N-[6-[[(3R)-1-(1,3-benzothiazol-2-yl)pyrrolidin-3-yl]amino]pyridazin-3-yl]-2-methoxy-2-phenylacetamide is COC(C(=O)Nc1ccc(N[C@@H]2CCN(c3nc4ccccc4s3)C2)nn1)c1ccccc1.
What is the InChIKey of N-[6-[[(3R)-1-(1,3-benzothiazol-2-yl)pyrrolidin-3-yl]amino]pyridazin-3-yl]-2-methoxy-2-phenylacetamide?
The InChIKey is GHCPSTBBLAJPRN-PLEWWHCXSA-N. The full InChI is InChI=1S/C24H24N6O2S/c1-32-22(16-7-3-2-4-8-16)23(31)27-21-12-11-20(28-29-21)25-17-13-14-30(15-17)24-26-18-9-5-6-10-19(18)33-24/h2-12,17,22H,13-15H2,1H3,(H,25,28)(H,27,29,31)/t17-,22?/m1/s1.
What are the key properties of N-[6-[[(3R)-1-(1,3-benzothiazol-2-yl)pyrrolidin-3-yl]amino]pyridazin-3-yl]-2-methoxy-2-phenylacetamide?
N-[6-[[(3R)-1-(1,3-benzothiazol-2-yl)pyrrolidin-3-yl]amino]pyridazin-3-yl]-2-methoxy-2-phenylacetamide has a molecular weight of 460.56 g/mol, XLogP of 4.10, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[[(3R)-1-(1,3-benzothiazol-2-yl)pyrrolidin-3-yl]amino]pyridazin-3-yl]-2-methoxy-2-phenylacetamide is sourced from PubChem (CID 175425619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).