N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-(5-methoxy-1H-indol-3-yl)acetamide

C20H19N5O2 — CID 136576880

IUPACN-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-(5-methoxy-1H-indol-3-yl)acetamide
SMILESCOc1ccc2[nH]cc(CC(=O)NCc3ccc(-n4ccnc4)nc3)c2c1
InChIInChI=1S/C20H19N5O2/c1-27-16-3-4-18-17(9-16)15(12-22-18)8-20(26)24-11-14-2-5-19(23-10-14)25-7-6-21-13-25/h2-7,9-10,12-13,22H,8,11H2,1H3,(H,24,26)
InChIKeyOVODJIAMGKIMDX-UHFFFAOYSA-N
MW361.41 g/mol
LogP2.62
Rot. Bonds6

About N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-(5-methoxy-1H-indol-3-yl)acetamide

N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-(5-methoxy-1H-indol-3-yl)acetamide (PubChem CID 136576880) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-(5-methoxy-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-(5-methoxy-1H-indol-3-yl)acetamide
PubChem CID136576880
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC NameN-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-(5-methoxy-1H-indol-3-yl)acetamide
SMILESCOc1ccc2[nH]cc(CC(=O)NCc3ccc(-n4ccnc4)nc3)c2c1
InChIInChI=1S/C20H19N5O2/c1-27-16-3-4-18-17(9-16)15(12-22-18)8-20(26)24-11-14-2-5-19(23-10-14)25-7-6-21-13-25/h2-7,9-10,12-13,22H,8,11H2,1H3,(H,24,26)
InChIKeyOVODJIAMGKIMDX-UHFFFAOYSA-N
XLogP2.62
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-methoxy-1H-indol-3-yl)-N-[(3-methylimidazol-4-yl)methyl]acetamide
CID 139003508
N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-isocyanoacetamide
CID 164823089
N-(2-hydroxypropyl)-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 78872247
N-[(4-cyclohexyloxyphenyl)methyl]-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 60614816
N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 60610770
1-[(4-fluorophenyl)methyl]-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea
CID 38205199
2-(5-methoxy-1H-indol-3-yl)-N-propan-2-ylacetamide
CID 110847876
2-(5-methoxy-1H-indol-3-yl)-N-[(2-methylphenyl)methyl]acetamide
CID 113209591
N-(3-hydroxybutyl)-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 111433362
2-cyclopentyl-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]acetamide
CID 134040291
2-[4-(dimethylamino)phenyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 18794242
N-[(5-methoxy-1H-indol-3-yl)methyl]acetamide
CID 71554009

Frequently Asked Questions

What is the IUPAC name of N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-(5-methoxy-1H-indol-3-yl)acetamide?
The IUPAC name of N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-(5-methoxy-1H-indol-3-yl)acetamide (CID 136576880) is N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-(5-methoxy-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-(5-methoxy-1H-indol-3-yl)acetamide?
The canonical SMILES for N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-(5-methoxy-1H-indol-3-yl)acetamide is COc1ccc2[nH]cc(CC(=O)NCc3ccc(-n4ccnc4)nc3)c2c1.
What is the InChIKey of N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-(5-methoxy-1H-indol-3-yl)acetamide?
The InChIKey is OVODJIAMGKIMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-27-16-3-4-18-17(9-16)15(12-22-18)8-20(26)24-11-14-2-5-19(23-10-14)25-7-6-21-13-25/h2-7,9-10,12-13,22H,8,11H2,1H3,(H,24,26).
What are the key properties of N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-(5-methoxy-1H-indol-3-yl)acetamide?
N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-(5-methoxy-1H-indol-3-yl)acetamide has a molecular weight of 361.41 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-(5-methoxy-1H-indol-3-yl)acetamide is sourced from PubChem (CID 136576880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).