N-[3-chloro-4-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)phenyl]pyridine-2-carboxamide

C21H20ClN3O3 — CID 46869951

IUPACN-[3-chloro-4-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(N2C(=O)CC3(CCCCC3)C2=O)c(Cl)c1)c1ccccn1
InChIInChI=1S/C21H20ClN3O3/c22-15-12-14(24-19(27)16-6-2-5-11-23-16)7-8-17(15)25-18(26)13-21(20(25)28)9-3-1-4-10-21/h2,5-8,11-12H,1,3-4,9-10,13H2,(H,24,27)
InChIKeyYNDMAMUBWKKHPW-UHFFFAOYSA-N
MW397.86 g/mol
LogP4.20
Rot. Bonds3

About N-[3-chloro-4-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)phenyl]pyridine-2-carboxamide

N-[3-chloro-4-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)phenyl]pyridine-2-carboxamide (PubChem CID 46869951) has the molecular formula C21H20ClN3O3 and a molecular weight of 397.86 g/mol. Its IUPAC name is N-[3-chloro-4-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)phenyl]pyridine-2-carboxamide
PubChem CID46869951
Molecular FormulaC21H20ClN3O3
Molecular Weight397.86 g/mol
Exact Mass397.12
IUPAC NameN-[3-chloro-4-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(N2C(=O)CC3(CCCCC3)C2=O)c(Cl)c1)c1ccccn1
InChIInChI=1S/C21H20ClN3O3/c22-15-12-14(24-19(27)16-6-2-5-11-23-16)7-8-17(15)25-18(26)13-21(20(25)28)9-3-1-4-10-21/h2,5-8,11-12H,1,3-4,9-10,13H2,(H,24,27)
InChIKeyYNDMAMUBWKKHPW-UHFFFAOYSA-N
XLogP4.20
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.86
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[3-chloro-4-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)phenyl]pyridine-2-carboxamide (CID 46869951) is N-[3-chloro-4-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[3-chloro-4-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)phenyl]pyridine-2-carboxamide is O=C(Nc1ccc(N2C(=O)CC3(CCCCC3)C2=O)c(Cl)c1)c1ccccn1.
What is the InChIKey of N-[3-chloro-4-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)phenyl]pyridine-2-carboxamide?
The InChIKey is YNDMAMUBWKKHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O3/c22-15-12-14(24-19(27)16-6-2-5-11-23-16)7-8-17(15)25-18(26)13-21(20(25)28)9-3-1-4-10-21/h2,5-8,11-12H,1,3-4,9-10,13H2,(H,24,27).
What are the key properties of N-[3-chloro-4-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)phenyl]pyridine-2-carboxamide?
N-[3-chloro-4-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)phenyl]pyridine-2-carboxamide has a molecular weight of 397.86 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 46869951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).