N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]-6-oxo-1-propylpyridazine-3-carboxamide

C20H24N6O3 — CID 47838565

IUPACN-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)Nc2ccc3nc(CN4CCOCC4)[nH]c3c2)ccc1=O
InChIInChI=1S/C20H24N6O3/c1-2-7-26-19(27)6-5-16(24-26)20(28)21-14-3-4-15-17(12-14)23-18(22-15)13-25-8-10-29-11-9-25/h3-6,12H,2,7-11,13H2,1H3,(H,21,28)(H,22,23)
InChIKeyDPTYAKAHAYQQEL-UHFFFAOYSA-N
MW396.45 g/mol
LogP1.61
Rot. Bonds6

About N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]-6-oxo-1-propylpyridazine-3-carboxamide

N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]-6-oxo-1-propylpyridazine-3-carboxamide (PubChem CID 47838565) has the molecular formula C20H24N6O3 and a molecular weight of 396.45 g/mol. Its IUPAC name is N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]-6-oxo-1-propylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]-6-oxo-1-propylpyridazine-3-carboxamide
PubChem CID47838565
Molecular FormulaC20H24N6O3
Molecular Weight396.45 g/mol
Exact Mass396.19
IUPAC NameN-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)Nc2ccc3nc(CN4CCOCC4)[nH]c3c2)ccc1=O
InChIInChI=1S/C20H24N6O3/c1-2-7-26-19(27)6-5-16(24-26)20(28)21-14-3-4-15-17(12-14)23-18(22-15)13-25-8-10-29-11-9-25/h3-6,12H,2,7-11,13H2,1H3,(H,21,28)(H,22,23)
InChIKeyDPTYAKAHAYQQEL-UHFFFAOYSA-N
XLogP1.61
TPSA105.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]benzamide
CID 154836812
2-chloro-N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]pyridine-4-carboxamide
CID 47838444
2-chloro-4-fluoro-N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]benzamide
CID 47799919
N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]-3,5-bis(trifluoromethyl)benzamide
CID 60604198
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 18117439
1-[(2R)-butan-2-yl]-5-methyl-N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]pyrazole-4-carboxamide
CID 124743032
1-butan-2-yl-5-methyl-N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]pyrazole-4-carboxamide
CID 119047356
N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 86868473
(3R)-1-benzyl-N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]-5-oxopyrrolidine-3-carboxamide
CID 95344166
N-[2-(2-morpholin-4-ylethyl)-3H-benzimidazol-5-yl]-1-oxo-2H-isoquinoline-4-carboxamide
CID 167966342
1-ethyl-N-(4-morpholin-4-ylphenyl)-6-oxopyridazine-3-carboxamide
CID 121066972
2-[[[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]amino]methylidene]propanedinitrile
CID 168543114

Frequently Asked Questions

What is the IUPAC name of N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]-6-oxo-1-propylpyridazine-3-carboxamide?
The IUPAC name of N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]-6-oxo-1-propylpyridazine-3-carboxamide (CID 47838565) is N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]-6-oxo-1-propylpyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]-6-oxo-1-propylpyridazine-3-carboxamide?
The canonical SMILES for N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]-6-oxo-1-propylpyridazine-3-carboxamide is CCCn1nc(C(=O)Nc2ccc3nc(CN4CCOCC4)[nH]c3c2)ccc1=O.
What is the InChIKey of N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]-6-oxo-1-propylpyridazine-3-carboxamide?
The InChIKey is DPTYAKAHAYQQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O3/c1-2-7-26-19(27)6-5-16(24-26)20(28)21-14-3-4-15-17(12-14)23-18(22-15)13-25-8-10-29-11-9-25/h3-6,12H,2,7-11,13H2,1H3,(H,21,28)(H,22,23).
What are the key properties of N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]-6-oxo-1-propylpyridazine-3-carboxamide?
N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]-6-oxo-1-propylpyridazine-3-carboxamide has a molecular weight of 396.45 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]-6-oxo-1-propylpyridazine-3-carboxamide is sourced from PubChem (CID 47838565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).