1-acetyl-5-methoxy-N-(pyridin-3-ylmethyl)indole-3-carboxamide

C18H17N3O3 — CID 113212725

IUPAC1-acetyl-5-methoxy-N-(pyridin-3-ylmethyl)indole-3-carboxamide
SMILESCOc1ccc2c(c1)c(C(=O)NCc1cccnc1)cn2C(C)=O
InChIInChI=1S/C18H17N3O3/c1-12(22)21-11-16(15-8-14(24-2)5-6-17(15)21)18(23)20-10-13-4-3-7-19-9-13/h3-9,11H,10H2,1-2H3,(H,20,23)
InChIKeyXQOFTZCTVUYIEG-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.63
Rot. Bonds4

About 1-acetyl-5-methoxy-N-(pyridin-3-ylmethyl)indole-3-carboxamide

1-acetyl-5-methoxy-N-(pyridin-3-ylmethyl)indole-3-carboxamide (PubChem CID 113212725) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 1-acetyl-5-methoxy-N-(pyridin-3-ylmethyl)indole-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-5-methoxy-N-(pyridin-3-ylmethyl)indole-3-carboxamide
PubChem CID113212725
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name1-acetyl-5-methoxy-N-(pyridin-3-ylmethyl)indole-3-carboxamide
SMILESCOc1ccc2c(c1)c(C(=O)NCc1cccnc1)cn2C(C)=O
InChIInChI=1S/C18H17N3O3/c1-12(22)21-11-16(15-8-14(24-2)5-6-17(15)21)18(23)20-10-13-4-3-7-19-9-13/h3-9,11H,10H2,1-2H3,(H,20,23)
InChIKeyXQOFTZCTVUYIEG-UHFFFAOYSA-N
XLogP2.63
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 5-methoxy-3-(2-pyridin-3-ylacetyl)indole-1-carboxylate
CID 67513901
1-acetyl-5-fluoro-N-(pyridin-4-ylmethyl)indole-3-carboxamide
CID 113212364
2-hydroxy-4-methoxy-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]benzamide
CID 51097476
1-(4-methoxyphenyl)-5-methyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 42818182
1-benzyl-6-methoxy-2-propan-2-yl-N-(pyridin-3-ylmethyl)indole-3-carboxamide
CID 123570891
methyl 2-[(1-acetyl-5-methoxyindole-3-carbonyl)amino]benzoate
CID 113212824
(E)-3-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 27396984
2-[(4-methoxybenzoyl)amino]-N-(pyridin-3-ylmethyl)benzamide
CID 991450
6-(4-methoxyphenyl)-1-methyl-N-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine-4-carboxamide
CID 134807730
4-N-(3-methoxyphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047690
6,7-dimethoxy-2-(2-methylpropyl)-1-oxo-N-(pyridin-3-ylmethyl)isoquinoline-4-carboxamide
CID 5322772
1-acetyl-5-chloro-N-[(2-methoxyphenyl)methyl]indole-3-carboxamide
CID 113212552

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-5-methoxy-N-(pyridin-3-ylmethyl)indole-3-carboxamide?
The IUPAC name of 1-acetyl-5-methoxy-N-(pyridin-3-ylmethyl)indole-3-carboxamide (CID 113212725) is 1-acetyl-5-methoxy-N-(pyridin-3-ylmethyl)indole-3-carboxamide.
What is the SMILES notation for 1-acetyl-5-methoxy-N-(pyridin-3-ylmethyl)indole-3-carboxamide?
The canonical SMILES for 1-acetyl-5-methoxy-N-(pyridin-3-ylmethyl)indole-3-carboxamide is COc1ccc2c(c1)c(C(=O)NCc1cccnc1)cn2C(C)=O.
What is the InChIKey of 1-acetyl-5-methoxy-N-(pyridin-3-ylmethyl)indole-3-carboxamide?
The InChIKey is XQOFTZCTVUYIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-12(22)21-11-16(15-8-14(24-2)5-6-17(15)21)18(23)20-10-13-4-3-7-19-9-13/h3-9,11H,10H2,1-2H3,(H,20,23).
What are the key properties of 1-acetyl-5-methoxy-N-(pyridin-3-ylmethyl)indole-3-carboxamide?
1-acetyl-5-methoxy-N-(pyridin-3-ylmethyl)indole-3-carboxamide has a molecular weight of 323.35 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-5-methoxy-N-(pyridin-3-ylmethyl)indole-3-carboxamide is sourced from PubChem (CID 113212725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).