N-benzyl-7-methoxypyrido[1,2-a]indole-10-carboxamide

C21H18N2O2 — CID 66667583

IUPACN-benzyl-7-methoxypyrido[1,2-a]indole-10-carboxamide
SMILESCOc1ccc2c(C(=O)NCc3ccccc3)c3ccccc3n2c1
InChIInChI=1S/C21H18N2O2/c1-25-16-11-12-19-20(17-9-5-6-10-18(17)23(19)14-16)21(24)22-13-15-7-3-2-4-8-15/h2-12,14H,13H2,1H3,(H,22,24)
InChIKeyQXZDWJRGGVLIPQ-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.03
Rot. Bonds4

About N-benzyl-7-methoxypyrido[1,2-a]indole-10-carboxamide

N-benzyl-7-methoxypyrido[1,2-a]indole-10-carboxamide (PubChem CID 66667583) has the molecular formula C21H18N2O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-benzyl-7-methoxypyrido[1,2-a]indole-10-carboxamide.

Molecular Properties

Compound NameN-benzyl-7-methoxypyrido[1,2-a]indole-10-carboxamide
PubChem CID66667583
Molecular FormulaC21H18N2O2
Molecular Weight330.39 g/mol
Exact Mass330.14
IUPAC NameN-benzyl-7-methoxypyrido[1,2-a]indole-10-carboxamide
SMILESCOc1ccc2c(C(=O)NCc3ccccc3)c3ccccc3n2c1
InChIInChI=1S/C21H18N2O2/c1-25-16-11-12-19-20(17-9-5-6-10-18(17)23(19)14-16)21(24)22-13-15-7-3-2-4-8-15/h2-12,14H,13H2,1H3,(H,22,24)
InChIKeyQXZDWJRGGVLIPQ-UHFFFAOYSA-N
XLogP4.03
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
N-[(4-methoxyphenyl)methyl]-1-methylindole-3-carboxamide
CID 9208154
2,3-dihydroxy-N-[(4-methoxyphenyl)methyl]-1-oxoisoquinoline-4-carboxamide
CID 137031826
2-(1,2-dimethylindol-3-yl)-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide
CID 7087278
N-benzyl-2-(4-methoxyphenyl)sulfanylacetamide
CID 41320624
2-indol-1-yl-N-[(4-methoxyphenyl)methyl]acetamide
CID 4224442
N-[(4-methoxyphenyl)methyl]-4-oxo-1-pentylquinoline-3-carboxamide
CID 11639466
methyl 7-(4-amino-4-oxobutan-2-yl)oxypyrido[1,2-a]indole-10-carboxylate
CID 66667086
N-(benzylcarbamothioyl)-4-methoxybenzamide
CID 920618
N-benzyl-1-(4-methoxyphenyl)triazole-4-carboxamide
CID 13413916
1-benzyl-6-methoxy-2-propan-2-yl-N-(pyridin-3-ylmethyl)indole-3-carboxamide
CID 123570891
N-benzyl-3-(4-methoxyphenoxy)propanamide
CID 974838

Frequently Asked Questions

What is the IUPAC name of N-benzyl-7-methoxypyrido[1,2-a]indole-10-carboxamide?
The IUPAC name of N-benzyl-7-methoxypyrido[1,2-a]indole-10-carboxamide (CID 66667583) is N-benzyl-7-methoxypyrido[1,2-a]indole-10-carboxamide.
What is the SMILES notation for N-benzyl-7-methoxypyrido[1,2-a]indole-10-carboxamide?
The canonical SMILES for N-benzyl-7-methoxypyrido[1,2-a]indole-10-carboxamide is COc1ccc2c(C(=O)NCc3ccccc3)c3ccccc3n2c1.
What is the InChIKey of N-benzyl-7-methoxypyrido[1,2-a]indole-10-carboxamide?
The InChIKey is QXZDWJRGGVLIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2/c1-25-16-11-12-19-20(17-9-5-6-10-18(17)23(19)14-16)21(24)22-13-15-7-3-2-4-8-15/h2-12,14H,13H2,1H3,(H,22,24).
What are the key properties of N-benzyl-7-methoxypyrido[1,2-a]indole-10-carboxamide?
N-benzyl-7-methoxypyrido[1,2-a]indole-10-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-7-methoxypyrido[1,2-a]indole-10-carboxamide is sourced from PubChem (CID 66667583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).