N-(3-chlorophenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-3-carboxamide

C19H20ClN3O3 — CID 109159992

IUPACN-(3-chlorophenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1ccc(N2CCC3(CC2)OCCO3)nc1
InChIInChI=1S/C19H20ClN3O3/c20-15-2-1-3-16(12-15)22-18(24)14-4-5-17(21-13-14)23-8-6-19(7-9-23)25-10-11-26-19/h1-5,12-13H,6-11H2,(H,22,24)
InChIKeyTVBNEUWWGKIDOE-UHFFFAOYSA-N
MW373.84 g/mol
LogP3.33
Rot. Bonds3

About N-(3-chlorophenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-3-carboxamide

N-(3-chlorophenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-3-carboxamide (PubChem CID 109159992) has the molecular formula C19H20ClN3O3 and a molecular weight of 373.84 g/mol. Its IUPAC name is N-(3-chlorophenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-3-carboxamide
PubChem CID109159992
Molecular FormulaC19H20ClN3O3
Molecular Weight373.84 g/mol
Exact Mass373.12
IUPAC NameN-(3-chlorophenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1ccc(N2CCC3(CC2)OCCO3)nc1
InChIInChI=1S/C19H20ClN3O3/c20-15-2-1-3-16(12-15)22-18(24)14-4-5-17(21-13-14)23-8-6-19(7-9-23)25-10-11-26-19/h1-5,12-13H,6-11H2,(H,22,24)
InChIKeyTVBNEUWWGKIDOE-UHFFFAOYSA-N
XLogP3.33
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-3-carbonyl]amino]benzoate
CID 109160015
4-chloro-N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]benzamide
CID 113014074
6-(4-acetylpiperazin-1-yl)-N-(3-chlorophenyl)pyridine-3-carboxamide
CID 109155130
N-(3-chlorophenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide
CID 109352525
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109159983
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide
CID 109160028
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-methyl-6-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109159986
(3aS,6aR)-2-[5-[(3-chlorophenyl)carbamoyl]-2-pyridinyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122063358
N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]acetamide
CID 113014035
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide
CID 109160004
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109158294
[2-(3-chloroanilino)pyrimidin-5-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109261603

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-3-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-3-carboxamide (CID 109159992) is N-(3-chlorophenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-3-carboxamide is O=C(Nc1cccc(Cl)c1)c1ccc(N2CCC3(CC2)OCCO3)nc1.
What is the InChIKey of N-(3-chlorophenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-3-carboxamide?
The InChIKey is TVBNEUWWGKIDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O3/c20-15-2-1-3-16(12-15)22-18(24)14-4-5-17(21-13-14)23-8-6-19(7-9-23)25-10-11-26-19/h1-5,12-13H,6-11H2,(H,22,24).
What are the key properties of N-(3-chlorophenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-3-carboxamide?
N-(3-chlorophenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-3-carboxamide has a molecular weight of 373.84 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-3-carboxamide is sourced from PubChem (CID 109159992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).