(2,5-dihydroxypyrrol-1-yl) N-[6-[2-(diethylamino)ethylcarbamoyl]naphthalen-2-yl]carbamate

C22H26N4O5 — CID 123934164

IUPAC(2,5-dihydroxypyrrol-1-yl) N-[6-[2-(diethylamino)ethylcarbamoyl]naphthalen-2-yl]carbamate
SMILESCCN(CC)CCNC(=O)c1ccc2cc(NC(=O)On3c(O)ccc3O)ccc2c1
InChIInChI=1S/C22H26N4O5/c1-3-25(4-2)12-11-23-21(29)17-6-5-16-14-18(8-7-15(16)13-17)24-22(30)31-26-19(27)9-10-20(26)28/h5-10,13-14,27-28H,3-4,11-12H2,1-2H3,(H,23,29)(H,24,30)
InChIKeyWXWCIAUTZQOIDT-UHFFFAOYSA-N
MW426.47 g/mol
LogP2.78
Rot. Bonds8

About (2,5-dihydroxypyrrol-1-yl) N-[6-[2-(diethylamino)ethylcarbamoyl]naphthalen-2-yl]carbamate

(2,5-dihydroxypyrrol-1-yl) N-[6-[2-(diethylamino)ethylcarbamoyl]naphthalen-2-yl]carbamate (PubChem CID 123934164) has the molecular formula C22H26N4O5 and a molecular weight of 426.47 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) N-[6-[2-(diethylamino)ethylcarbamoyl]naphthalen-2-yl]carbamate.

Molecular Properties

Compound Name(2,5-dihydroxypyrrol-1-yl) N-[6-[2-(diethylamino)ethylcarbamoyl]naphthalen-2-yl]carbamate
PubChem CID123934164
Molecular FormulaC22H26N4O5
Molecular Weight426.47 g/mol
Exact Mass426.19
IUPAC Name(2,5-dihydroxypyrrol-1-yl) N-[6-[2-(diethylamino)ethylcarbamoyl]naphthalen-2-yl]carbamate
SMILESCCN(CC)CCNC(=O)c1ccc2cc(NC(=O)On3c(O)ccc3O)ccc2c1
InChIInChI=1S/C22H26N4O5/c1-3-25(4-2)12-11-23-21(29)17-6-5-16-14-18(8-7-15(16)13-17)24-22(30)31-26-19(27)9-10-20(26)28/h5-10,13-14,27-28H,3-4,11-12H2,1-2H3,(H,23,29)(H,24,30)
InChIKeyWXWCIAUTZQOIDT-UHFFFAOYSA-N
XLogP2.78
TPSA116.06 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 52.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

(2,5-dihydroxypyrrol-1-yl) N-[3-[2-(diethylamino)ethylcarbamoyl]isoquinolin-6-yl]carbamate
CID 137153373
N-[2-(diethylamino)ethyl]-6-iodonaphthalene-2-carboxamide
CID 24797314
N-[2-(diethylamino)ethyl]-4-[(4-methoxybenzoyl)amino]benzamide
CID 4677770
2-(diethylamino)ethyl 4-[(2,5-dioxopyrrolidin-1-yl)oxycarbonylamino]benzoate;(2,5-dioxopyrrolidin-1-yl) N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]carbamate;(2,5-dioxopyrrolidin-1-yl) N-[2-[2-(diethylamino)ethylcarbamoyl]quinolin-6-yl]carbamate
CID 164967106
4-acetamido-N-[2-(diethylamino)ethyl]benzamide;hydron;chloride
CID 67108272
octyl N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]carbamate
CID 24836459
4-amino-N-[2-(diethylamino)ethyl]-3-hydroxybenzamide
CID 18999797
N-[2-(diethylamino)ethyl]-3-phenoxybenzamide
CID 12941795
4-[(1-aminocyclopropanecarbonyl)amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride
CID 119827819
3-bromo-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-4-methylbenzamide
CID 17229756
N-[2-(diethylamino)ethyl]-4-[[4-(2-methoxyethoxy)benzoyl]amino]benzamide
CID 17229819
4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[2-(diethylamino)ethyl]benzamide
CID 8000257

Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxypyrrol-1-yl) N-[6-[2-(diethylamino)ethylcarbamoyl]naphthalen-2-yl]carbamate?
The IUPAC name of (2,5-dihydroxypyrrol-1-yl) N-[6-[2-(diethylamino)ethylcarbamoyl]naphthalen-2-yl]carbamate (CID 123934164) is (2,5-dihydroxypyrrol-1-yl) N-[6-[2-(diethylamino)ethylcarbamoyl]naphthalen-2-yl]carbamate.
What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) N-[6-[2-(diethylamino)ethylcarbamoyl]naphthalen-2-yl]carbamate?
The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) N-[6-[2-(diethylamino)ethylcarbamoyl]naphthalen-2-yl]carbamate is CCN(CC)CCNC(=O)c1ccc2cc(NC(=O)On3c(O)ccc3O)ccc2c1.
What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) N-[6-[2-(diethylamino)ethylcarbamoyl]naphthalen-2-yl]carbamate?
The InChIKey is WXWCIAUTZQOIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O5/c1-3-25(4-2)12-11-23-21(29)17-6-5-16-14-18(8-7-15(16)13-17)24-22(30)31-26-19(27)9-10-20(26)28/h5-10,13-14,27-28H,3-4,11-12H2,1-2H3,(H,23,29)(H,24,30).
What are the key properties of (2,5-dihydroxypyrrol-1-yl) N-[6-[2-(diethylamino)ethylcarbamoyl]naphthalen-2-yl]carbamate?
(2,5-dihydroxypyrrol-1-yl) N-[6-[2-(diethylamino)ethylcarbamoyl]naphthalen-2-yl]carbamate has a molecular weight of 426.47 g/mol, XLogP of 2.78, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dihydroxypyrrol-1-yl) N-[6-[2-(diethylamino)ethylcarbamoyl]naphthalen-2-yl]carbamate is sourced from PubChem (CID 123934164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).