8-chloro-N-[4-(methylcarbamoyl)-2-pyridinyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxamide

C21H21ClN4O4 — CID 46927020

IUPAC8-chloro-N-[4-(methylcarbamoyl)-2-pyridinyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxamide
SMILESCNC(=O)c1ccnc(NC(=O)N2CCC3(CC2)CC(=O)c2cccc(Cl)c2O3)c1
InChIInChI=1S/C21H21ClN4O4/c1-23-19(28)13-5-8-24-17(11-13)25-20(29)26-9-6-21(7-10-26)12-16(27)14-3-2-4-15(22)18(14)30-21/h2-5,8,11H,6-7,9-10,12H2,1H3,(H,23,28)(H,24,25,29)
InChIKeyRZAAQIJYIQVPLL-UHFFFAOYSA-N
MW428.88 g/mol
LogP3.13
Rot. Bonds2

About 8-chloro-N-[4-(methylcarbamoyl)-2-pyridinyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxamide

8-chloro-N-[4-(methylcarbamoyl)-2-pyridinyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxamide (PubChem CID 46927020) has the molecular formula C21H21ClN4O4 and a molecular weight of 428.88 g/mol. Its IUPAC name is 8-chloro-N-[4-(methylcarbamoyl)-2-pyridinyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound Name8-chloro-N-[4-(methylcarbamoyl)-2-pyridinyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxamide
PubChem CID46927020
Molecular FormulaC21H21ClN4O4
Molecular Weight428.88 g/mol
Exact Mass428.13
IUPAC Name8-chloro-N-[4-(methylcarbamoyl)-2-pyridinyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxamide
SMILESCNC(=O)c1ccnc(NC(=O)N2CCC3(CC2)CC(=O)c2cccc(Cl)c2O3)c1
InChIInChI=1S/C21H21ClN4O4/c1-23-19(28)13-5-8-24-17(11-13)25-20(29)26-9-6-21(7-10-26)12-16(27)14-3-2-4-15(22)18(14)30-21/h2-5,8,11H,6-7,9-10,12H2,1H3,(H,23,28)(H,24,25,29)
InChIKeyRZAAQIJYIQVPLL-UHFFFAOYSA-N
XLogP3.13
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.88
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-[4-(methylcarbamoyl)-2-pyridinyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxamide?
The IUPAC name of 8-chloro-N-[4-(methylcarbamoyl)-2-pyridinyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxamide (CID 46927020) is 8-chloro-N-[4-(methylcarbamoyl)-2-pyridinyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for 8-chloro-N-[4-(methylcarbamoyl)-2-pyridinyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxamide?
The canonical SMILES for 8-chloro-N-[4-(methylcarbamoyl)-2-pyridinyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxamide is CNC(=O)c1ccnc(NC(=O)N2CCC3(CC2)CC(=O)c2cccc(Cl)c2O3)c1.
What is the InChIKey of 8-chloro-N-[4-(methylcarbamoyl)-2-pyridinyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxamide?
The InChIKey is RZAAQIJYIQVPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O4/c1-23-19(28)13-5-8-24-17(11-13)25-20(29)26-9-6-21(7-10-26)12-16(27)14-3-2-4-15(22)18(14)30-21/h2-5,8,11H,6-7,9-10,12H2,1H3,(H,23,28)(H,24,25,29).
What are the key properties of 8-chloro-N-[4-(methylcarbamoyl)-2-pyridinyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxamide?
8-chloro-N-[4-(methylcarbamoyl)-2-pyridinyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxamide has a molecular weight of 428.88 g/mol, XLogP of 3.13, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-[4-(methylcarbamoyl)-2-pyridinyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 46927020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).