N-[2-(dimethylamino)ethyl]-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-4-carboxamide

C18H26N4O4 — CID 109083433

IUPACN-[2-(dimethylamino)ethyl]-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-4-carboxamide
SMILESCN(C)CCNC(=O)c1ccnc(C(=O)N2CCC3(CC2)OCCO3)c1
InChIInChI=1S/C18H26N4O4/c1-21(2)10-7-20-16(23)14-3-6-19-15(13-14)17(24)22-8-4-18(5-9-22)25-11-12-26-18/h3,6,13H,4-5,7-12H2,1-2H3,(H,20,23)
InChIKeyBBQFAYRAXGIYEO-UHFFFAOYSA-N
MW362.43 g/mol
LogP0.35
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-4-carboxamide

N-[2-(dimethylamino)ethyl]-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-4-carboxamide (PubChem CID 109083433) has the molecular formula C18H26N4O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-4-carboxamide
PubChem CID109083433
Molecular FormulaC18H26N4O4
Molecular Weight362.43 g/mol
Exact Mass362.20
IUPAC NameN-[2-(dimethylamino)ethyl]-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-4-carboxamide
SMILESCN(C)CCNC(=O)c1ccnc(C(=O)N2CCC3(CC2)OCCO3)c1
InChIInChI=1S/C18H26N4O4/c1-21(2)10-7-20-16(23)14-3-6-19-15(13-14)17(24)22-8-4-18(5-9-22)25-11-12-26-18/h3,6,13H,4-5,7-12H2,1-2H3,(H,20,23)
InChIKeyBBQFAYRAXGIYEO-UHFFFAOYSA-N
XLogP0.35
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(dimethylamino)ethyl]-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-2-carboxamide
CID 109083588
2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N,N-dipropylpyridine-4-carboxamide
CID 109088607
N-tert-butyl-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-4-carboxamide
CID 109088600
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-pentylpyridine-2-carboxamide
CID 109088568
N-(2,5-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-4-carboxamide
CID 109088616
N-butyl-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-methylpyridine-2-carboxamide
CID 109088569
N-[2-(dimethylamino)ethyl]-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyridine-4-carboxamide
CID 109083438
4-(azepane-1-carbonyl)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide
CID 109083611
N-[3-(dimethylamino)propyl]-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-2-carboxamide
CID 109207757
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide
CID 109085941
4-[2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-4-carbonyl]piperazine-1-carbaldehyde
CID 109084662
N-[2-(cyclohexen-1-yl)ethyl]-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-2-carboxamide
CID 109082072

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-4-carboxamide (CID 109083433) is N-[2-(dimethylamino)ethyl]-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-4-carboxamide is CN(C)CCNC(=O)c1ccnc(C(=O)N2CCC3(CC2)OCCO3)c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-4-carboxamide?
The InChIKey is BBQFAYRAXGIYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O4/c1-21(2)10-7-20-16(23)14-3-6-19-15(13-14)17(24)22-8-4-18(5-9-22)25-11-12-26-18/h3,6,13H,4-5,7-12H2,1-2H3,(H,20,23).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-4-carboxamide?
N-[2-(dimethylamino)ethyl]-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-4-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 0.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-4-carboxamide is sourced from PubChem (CID 109083433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).