N-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-pyridinyl]-3-fluorobenzamide

C19H20FN3O3 — CID 113029120

IUPACN-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-pyridinyl]-3-fluorobenzamide
SMILESO=C(Nc1ccc(N2CCC3(CC2)OCCO3)cn1)c1cccc(F)c1
InChIInChI=1S/C19H20FN3O3/c20-15-3-1-2-14(12-15)18(24)22-17-5-4-16(13-21-17)23-8-6-19(7-9-23)25-10-11-26-19/h1-5,12-13H,6-11H2,(H,21,22,24)
InChIKeyTXYUUGNDKBSKDK-UHFFFAOYSA-N
MW357.39 g/mol
LogP2.82
Rot. Bonds3

About N-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-pyridinyl]-3-fluorobenzamide

N-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-pyridinyl]-3-fluorobenzamide (PubChem CID 113029120) has the molecular formula C19H20FN3O3 and a molecular weight of 357.39 g/mol. Its IUPAC name is N-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-pyridinyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-pyridinyl]-3-fluorobenzamide
PubChem CID113029120
Molecular FormulaC19H20FN3O3
Molecular Weight357.39 g/mol
Exact Mass357.15
IUPAC NameN-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-pyridinyl]-3-fluorobenzamide
SMILESO=C(Nc1ccc(N2CCC3(CC2)OCCO3)cn1)c1cccc(F)c1
InChIInChI=1S/C19H20FN3O3/c20-15-3-1-2-14(12-15)18(24)22-17-5-4-16(13-21-17)23-8-6-19(7-9-23)25-10-11-26-19/h1-5,12-13H,6-11H2,(H,21,22,24)
InChIKeyTXYUUGNDKBSKDK-UHFFFAOYSA-N
XLogP2.82
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide
CID 119494063
3-fluoro-N-[5-[4-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]benzamide
CID 113029367
N-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-pyridinyl]thiophene-2-carboxamide
CID 113029114
3-chloro-N-(5-morpholin-4-yl-2-pyridinyl)benzamide
CID 38139828
6-[(3-fluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 61318981
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-fluorophenyl)pyridine-2-carboxamide
CID 109215730
N-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-pyridinyl]cyclohexanecarboxamide
CID 113029109
5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 109193919
3-fluoro-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]benzamide
CID 113021056
N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-3-fluorobenzamide
CID 43057717
4-fluoro-3,5-dimethyl-N-(5-morpholin-4-yl-2-pyridinyl)benzamide
CID 146084918
N-[3-[(5-morpholin-4-yl-2-pyridinyl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 55634320

Frequently Asked Questions

What is the IUPAC name of N-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-pyridinyl]-3-fluorobenzamide?
The IUPAC name of N-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-pyridinyl]-3-fluorobenzamide (CID 113029120) is N-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-pyridinyl]-3-fluorobenzamide.
What is the SMILES notation for N-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-pyridinyl]-3-fluorobenzamide?
The canonical SMILES for N-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-pyridinyl]-3-fluorobenzamide is O=C(Nc1ccc(N2CCC3(CC2)OCCO3)cn1)c1cccc(F)c1.
What is the InChIKey of N-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-pyridinyl]-3-fluorobenzamide?
The InChIKey is TXYUUGNDKBSKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3/c20-15-3-1-2-14(12-15)18(24)22-17-5-4-16(13-21-17)23-8-6-19(7-9-23)25-10-11-26-19/h1-5,12-13H,6-11H2,(H,21,22,24).
What are the key properties of N-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-pyridinyl]-3-fluorobenzamide?
N-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-pyridinyl]-3-fluorobenzamide has a molecular weight of 357.39 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-pyridinyl]-3-fluorobenzamide is sourced from PubChem (CID 113029120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).