N-methyl-5-[3-[6-[(2-phenylacetyl)amino]pyridazin-3-yl]pyrrolidin-1-yl]-1,3,4-thiadiazole-2-carboxamide

C20H21N7O2S — CID 137451679

IUPACN-methyl-5-[3-[6-[(2-phenylacetyl)amino]pyridazin-3-yl]pyrrolidin-1-yl]-1,3,4-thiadiazole-2-carboxamide
SMILESCNC(=O)c1nnc(N2CCC(c3ccc(NC(=O)Cc4ccccc4)nn3)C2)s1
InChIInChI=1S/C20H21N7O2S/c1-21-18(29)19-25-26-20(30-19)27-10-9-14(12-27)15-7-8-16(24-23-15)22-17(28)11-13-5-3-2-4-6-13/h2-8,14H,9-12H2,1H3,(H,21,29)(H,22,24,28)
InChIKeyGCNIZTJSPXMJSN-UHFFFAOYSA-N
MW423.50 g/mol
LogP1.86
Rot. Bonds6

About N-methyl-5-[3-[6-[(2-phenylacetyl)amino]pyridazin-3-yl]pyrrolidin-1-yl]-1,3,4-thiadiazole-2-carboxamide

N-methyl-5-[3-[6-[(2-phenylacetyl)amino]pyridazin-3-yl]pyrrolidin-1-yl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 137451679) has the molecular formula C20H21N7O2S and a molecular weight of 423.50 g/mol. Its IUPAC name is N-methyl-5-[3-[6-[(2-phenylacetyl)amino]pyridazin-3-yl]pyrrolidin-1-yl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[3-[6-[(2-phenylacetyl)amino]pyridazin-3-yl]pyrrolidin-1-yl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID137451679
Molecular FormulaC20H21N7O2S
Molecular Weight423.50 g/mol
Exact Mass423.15
IUPAC NameN-methyl-5-[3-[6-[(2-phenylacetyl)amino]pyridazin-3-yl]pyrrolidin-1-yl]-1,3,4-thiadiazole-2-carboxamide
SMILESCNC(=O)c1nnc(N2CCC(c3ccc(NC(=O)Cc4ccccc4)nn3)C2)s1
InChIInChI=1S/C20H21N7O2S/c1-21-18(29)19-25-26-20(30-19)27-10-9-14(12-27)15-7-8-16(24-23-15)22-17(28)11-13-5-3-2-4-6-13/h2-8,14H,9-12H2,1H3,(H,21,29)(H,22,24,28)
InChIKeyGCNIZTJSPXMJSN-UHFFFAOYSA-N
XLogP1.86
TPSA113.00 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.50
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

5-[(3S)-3-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
CID 140762820
N-[6-[1-[5-(2-amino-2-oxoethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 154506459
N-[6-[1-[5-(2-oxo-3-pyridin-2-ylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 147585160
N-[5-[1-[6-(methylamino)pyridazin-3-yl]piperidin-4-yl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
CID 144878488
2-phenyl-N-[5-[(3S)-3-[[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]oxy]pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide
CID 118988617
1-[5-[(3R)-3-[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl]-3-pyridin-2-ylpropan-1-one
CID 157094836
N,6-dimethyl-2-[1-(2-phenylacetyl)piperidin-4-yl]pyridine-3-carboxamide
CID 42868064
tert-butyl 4-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]piperazine-1-carboxylate
CID 176899157
N-[6-[(3R)-1-[(2R)-2-methoxy-2-phenylpropanoyl]pyrrolidin-3-yl]pyridazin-3-yl]-2-pyridin-2-ylacetamide
CID 145224794
N-[5-[4-[[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]oxy]piperidin-1-yl]-1,3,4-thiadiazol-2-yl]propanamide
CID 155523816
N-(6-morpholin-4-ylpyridazin-3-yl)-2-phenylacetamide
CID 113039672
N-methyl-6-(3-phenylpyrrolidin-1-yl)pyridazine-3-carboxamide
CID 133342994

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[3-[6-[(2-phenylacetyl)amino]pyridazin-3-yl]pyrrolidin-1-yl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-methyl-5-[3-[6-[(2-phenylacetyl)amino]pyridazin-3-yl]pyrrolidin-1-yl]-1,3,4-thiadiazole-2-carboxamide (CID 137451679) is N-methyl-5-[3-[6-[(2-phenylacetyl)amino]pyridazin-3-yl]pyrrolidin-1-yl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-methyl-5-[3-[6-[(2-phenylacetyl)amino]pyridazin-3-yl]pyrrolidin-1-yl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-methyl-5-[3-[6-[(2-phenylacetyl)amino]pyridazin-3-yl]pyrrolidin-1-yl]-1,3,4-thiadiazole-2-carboxamide is CNC(=O)c1nnc(N2CCC(c3ccc(NC(=O)Cc4ccccc4)nn3)C2)s1.
What is the InChIKey of N-methyl-5-[3-[6-[(2-phenylacetyl)amino]pyridazin-3-yl]pyrrolidin-1-yl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is GCNIZTJSPXMJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O2S/c1-21-18(29)19-25-26-20(30-19)27-10-9-14(12-27)15-7-8-16(24-23-15)22-17(28)11-13-5-3-2-4-6-13/h2-8,14H,9-12H2,1H3,(H,21,29)(H,22,24,28).
What are the key properties of N-methyl-5-[3-[6-[(2-phenylacetyl)amino]pyridazin-3-yl]pyrrolidin-1-yl]-1,3,4-thiadiazole-2-carboxamide?
N-methyl-5-[3-[6-[(2-phenylacetyl)amino]pyridazin-3-yl]pyrrolidin-1-yl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 423.50 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[3-[6-[(2-phenylacetyl)amino]pyridazin-3-yl]pyrrolidin-1-yl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 137451679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).