5-chloro-N-[3-oxo-4-[2-oxo-2-(pyridin-2-ylamino)ethyl]-2,4-dihydro-1H-naphthalen-2-yl]-1H-indole-2-carboxamide

C26H21ClN4O3 — CID 58788453

IUPAC5-chloro-N-[3-oxo-4-[2-oxo-2-(pyridin-2-ylamino)ethyl]-2,4-dihydro-1H-naphthalen-2-yl]-1H-indole-2-carboxamide
SMILESO=C(CC1C(=O)C(NC(=O)c2cc3cc(Cl)ccc3[nH]2)Cc2ccccc21)Nc1ccccn1
InChIInChI=1S/C26H21ClN4O3/c27-17-8-9-20-16(11-17)13-22(29-20)26(34)30-21-12-15-5-1-2-6-18(15)19(25(21)33)14-24(32)31-23-7-3-4-10-28-23/h1-11,13,19,21,29H,12,14H2,(H,30,34)(H,28,31,32)
InChIKeyUODVQXBPAHNKRP-UHFFFAOYSA-N
MW472.93 g/mol
LogP4.25
Rot. Bonds5

About 5-chloro-N-[3-oxo-4-[2-oxo-2-(pyridin-2-ylamino)ethyl]-2,4-dihydro-1H-naphthalen-2-yl]-1H-indole-2-carboxamide

5-chloro-N-[3-oxo-4-[2-oxo-2-(pyridin-2-ylamino)ethyl]-2,4-dihydro-1H-naphthalen-2-yl]-1H-indole-2-carboxamide (PubChem CID 58788453) has the molecular formula C26H21ClN4O3 and a molecular weight of 472.93 g/mol. Its IUPAC name is 5-chloro-N-[3-oxo-4-[2-oxo-2-(pyridin-2-ylamino)ethyl]-2,4-dihydro-1H-naphthalen-2-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[3-oxo-4-[2-oxo-2-(pyridin-2-ylamino)ethyl]-2,4-dihydro-1H-naphthalen-2-yl]-1H-indole-2-carboxamide
PubChem CID58788453
Molecular FormulaC26H21ClN4O3
Molecular Weight472.93 g/mol
Exact Mass472.13
IUPAC Name5-chloro-N-[3-oxo-4-[2-oxo-2-(pyridin-2-ylamino)ethyl]-2,4-dihydro-1H-naphthalen-2-yl]-1H-indole-2-carboxamide
SMILESO=C(CC1C(=O)C(NC(=O)c2cc3cc(Cl)ccc3[nH]2)Cc2ccccc21)Nc1ccccn1
InChIInChI=1S/C26H21ClN4O3/c27-17-8-9-20-16(11-17)13-22(29-20)26(34)30-21-12-15-5-1-2-6-18(15)19(25(21)33)14-24(32)31-23-7-3-4-10-28-23/h1-11,13,19,21,29H,12,14H2,(H,30,34)(H,28,31,32)
InChIKeyUODVQXBPAHNKRP-UHFFFAOYSA-N
XLogP4.25
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.93
LogP ≤ 54.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-oxo-4-[2-oxo-2-(pyridin-2-ylamino)ethyl]-2,4-dihydro-1H-naphthalen-2-yl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-[3-oxo-4-[2-oxo-2-(pyridin-2-ylamino)ethyl]-2,4-dihydro-1H-naphthalen-2-yl]-1H-indole-2-carboxamide (CID 58788453) is 5-chloro-N-[3-oxo-4-[2-oxo-2-(pyridin-2-ylamino)ethyl]-2,4-dihydro-1H-naphthalen-2-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[3-oxo-4-[2-oxo-2-(pyridin-2-ylamino)ethyl]-2,4-dihydro-1H-naphthalen-2-yl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[3-oxo-4-[2-oxo-2-(pyridin-2-ylamino)ethyl]-2,4-dihydro-1H-naphthalen-2-yl]-1H-indole-2-carboxamide is O=C(CC1C(=O)C(NC(=O)c2cc3cc(Cl)ccc3[nH]2)Cc2ccccc21)Nc1ccccn1.
What is the InChIKey of 5-chloro-N-[3-oxo-4-[2-oxo-2-(pyridin-2-ylamino)ethyl]-2,4-dihydro-1H-naphthalen-2-yl]-1H-indole-2-carboxamide?
The InChIKey is UODVQXBPAHNKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClN4O3/c27-17-8-9-20-16(11-17)13-22(29-20)26(34)30-21-12-15-5-1-2-6-18(15)19(25(21)33)14-24(32)31-23-7-3-4-10-28-23/h1-11,13,19,21,29H,12,14H2,(H,30,34)(H,28,31,32).
What are the key properties of 5-chloro-N-[3-oxo-4-[2-oxo-2-(pyridin-2-ylamino)ethyl]-2,4-dihydro-1H-naphthalen-2-yl]-1H-indole-2-carboxamide?
5-chloro-N-[3-oxo-4-[2-oxo-2-(pyridin-2-ylamino)ethyl]-2,4-dihydro-1H-naphthalen-2-yl]-1H-indole-2-carboxamide has a molecular weight of 472.93 g/mol, XLogP of 4.25, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-oxo-4-[2-oxo-2-(pyridin-2-ylamino)ethyl]-2,4-dihydro-1H-naphthalen-2-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 58788453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).