N-[2-[3-(2-carbamoylpyridin-1-ium-4-yl)oxyphenyl]ethyl]-1H-indole-5-carboxamide

C23H21N4O3+ — CID 143640178

IUPACN-[2-[3-(2-carbamoylpyridin-1-ium-4-yl)oxyphenyl]ethyl]-1H-indole-5-carboxamide
SMILESNC(=O)c1cc(Oc2cccc(CCNC(=O)c3ccc4[nH]ccc4c3)c2)cc[nH+]1
InChIInChI=1S/C23H20N4O3/c24-22(28)21-14-19(8-11-26-21)30-18-3-1-2-15(12-18)6-9-27-23(29)17-4-5-20-16(13-17)7-10-25-20/h1-5,7-8,10-14,25H,6,9H2,(H2,24,28)(H,27,29)/p+1
InChIKeyBGXXKTLYCMWYRV-UHFFFAOYSA-O
MW401.45 g/mol
LogP2.85
Rot. Bonds7

About N-[2-[3-(2-carbamoylpyridin-1-ium-4-yl)oxyphenyl]ethyl]-1H-indole-5-carboxamide

N-[2-[3-(2-carbamoylpyridin-1-ium-4-yl)oxyphenyl]ethyl]-1H-indole-5-carboxamide (PubChem CID 143640178) has the molecular formula C23H21N4O3+ and a molecular weight of 401.45 g/mol. Its IUPAC name is N-[2-[3-(2-carbamoylpyridin-1-ium-4-yl)oxyphenyl]ethyl]-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(2-carbamoylpyridin-1-ium-4-yl)oxyphenyl]ethyl]-1H-indole-5-carboxamide
PubChem CID143640178
Molecular FormulaC23H21N4O3+
Molecular Weight401.45 g/mol
Exact Mass401.16
IUPAC NameN-[2-[3-(2-carbamoylpyridin-1-ium-4-yl)oxyphenyl]ethyl]-1H-indole-5-carboxamide
SMILESNC(=O)c1cc(Oc2cccc(CCNC(=O)c3ccc4[nH]ccc4c3)c2)cc[nH+]1
InChIInChI=1S/C23H20N4O3/c24-22(28)21-14-19(8-11-26-21)30-18-3-1-2-15(12-18)6-9-27-23(29)17-4-5-20-16(13-17)7-10-25-20/h1-5,7-8,10-14,25H,6,9H2,(H2,24,28)(H,27,29)/p+1
InChIKeyBGXXKTLYCMWYRV-UHFFFAOYSA-O
XLogP2.85
TPSA111.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.45
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[3-[(2-carbamoyl-4-pyridinyl)oxy]phenyl]ethyl]-1H-indole-5-carboxamide
CID 143640179
N-[2-[3-(2-carbamoylpyridin-1-ium-4-yl)oxyphenyl]ethyl]-4,5-dichloro-1,2-thiazole-3-carboxamide
CID 143640223
N-(5-amino-5-oxopentyl)-1H-indole-5-carboxamide
CID 103896359
methyl 3-(1H-indole-5-carbonylamino)propanoate
CID 63718794
N-(2-pyridin-4-ylethyl)-1H-indole-6-carboxamide
CID 63769836
N-[(3-fluorophenyl)methyl]-1H-indole-5-carboxamide
CID 63716942
4-[4-[2-(3-chlorophenyl)ethylcarbamoyl]phenoxy]benzamide
CID 56545147
3,4-dichloro-N-[2-(1H-indol-6-yl)ethyl]benzamide
CID 84580794
N-[3-(methylamino)propyl]-1H-indole-5-carboxamide
CID 63749863
N-[2-(dimethylcarbamoylamino)ethyl]-1H-indole-5-carboxamide
CID 83114551
N-[3-(methylamino)-3-oxopropyl]-1H-indole-5-carboxamide
CID 63718286
N-(3-ethoxyphenyl)-1H-indole-5-carboxamide
CID 63718266

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(2-carbamoylpyridin-1-ium-4-yl)oxyphenyl]ethyl]-1H-indole-5-carboxamide?
The IUPAC name of N-[2-[3-(2-carbamoylpyridin-1-ium-4-yl)oxyphenyl]ethyl]-1H-indole-5-carboxamide (CID 143640178) is N-[2-[3-(2-carbamoylpyridin-1-ium-4-yl)oxyphenyl]ethyl]-1H-indole-5-carboxamide.
What is the SMILES notation for N-[2-[3-(2-carbamoylpyridin-1-ium-4-yl)oxyphenyl]ethyl]-1H-indole-5-carboxamide?
The canonical SMILES for N-[2-[3-(2-carbamoylpyridin-1-ium-4-yl)oxyphenyl]ethyl]-1H-indole-5-carboxamide is NC(=O)c1cc(Oc2cccc(CCNC(=O)c3ccc4[nH]ccc4c3)c2)cc[nH+]1.
What is the InChIKey of N-[2-[3-(2-carbamoylpyridin-1-ium-4-yl)oxyphenyl]ethyl]-1H-indole-5-carboxamide?
The InChIKey is BGXXKTLYCMWYRV-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H20N4O3/c24-22(28)21-14-19(8-11-26-21)30-18-3-1-2-15(12-18)6-9-27-23(29)17-4-5-20-16(13-17)7-10-25-20/h1-5,7-8,10-14,25H,6,9H2,(H2,24,28)(H,27,29)/p+1.
What are the key properties of N-[2-[3-(2-carbamoylpyridin-1-ium-4-yl)oxyphenyl]ethyl]-1H-indole-5-carboxamide?
N-[2-[3-(2-carbamoylpyridin-1-ium-4-yl)oxyphenyl]ethyl]-1H-indole-5-carboxamide has a molecular weight of 401.45 g/mol, XLogP of 2.85, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(2-carbamoylpyridin-1-ium-4-yl)oxyphenyl]ethyl]-1H-indole-5-carboxamide is sourced from PubChem (CID 143640178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).