N-butyl-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-methylpyridine-2-carboxamide

C19H27N3O4 — CID 109088569

IUPACN-butyl-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-methylpyridine-2-carboxamide
SMILESCCCCN(C)C(=O)c1cc(C(=O)N2CCC3(CC2)OCCO3)ccn1
InChIInChI=1S/C19H27N3O4/c1-3-4-9-21(2)18(24)16-14-15(5-8-20-16)17(23)22-10-6-19(7-11-22)25-12-13-26-19/h5,8,14H,3-4,6-7,9-13H2,1-2H3
InChIKeyPQVZVCKEGHBSQM-UHFFFAOYSA-N
MW361.44 g/mol
LogP1.93
Rot. Bonds5

About N-butyl-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-methylpyridine-2-carboxamide

N-butyl-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-methylpyridine-2-carboxamide (PubChem CID 109088569) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is N-butyl-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-butyl-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-methylpyridine-2-carboxamide
PubChem CID109088569
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC NameN-butyl-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-methylpyridine-2-carboxamide
SMILESCCCCN(C)C(=O)c1cc(C(=O)N2CCC3(CC2)OCCO3)ccn1
InChIInChI=1S/C19H27N3O4/c1-3-4-9-21(2)18(24)16-14-15(5-8-20-16)17(23)22-10-6-19(7-11-22)25-12-13-26-19/h5,8,14H,3-4,6-7,9-13H2,1-2H3
InChIKeyPQVZVCKEGHBSQM-UHFFFAOYSA-N
XLogP1.93
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-pentylpyridine-2-carboxamide
CID 109088568
2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N,N-dipropylpyridine-4-carboxamide
CID 109088607
N-[2-(dimethylamino)ethyl]-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-2-carboxamide
CID 109083588
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-ethyl-N-phenylpyridine-2-carboxamide
CID 109088588
N-[2-(dimethylamino)ethyl]-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-4-carboxamide
CID 109083433
N-butyl-N-methyl-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide
CID 109088698
N-butyl-N-methyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 108989729
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-[[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-pyridinyl]methyl]acetamide
CID 112531337
[5-[butyl(methyl)amino]pyrazin-2-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109285959
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(dipropylamino)pyrimidin-5-yl]methanone
CID 109261574

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-methylpyridine-2-carboxamide?
The IUPAC name of N-butyl-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-methylpyridine-2-carboxamide (CID 109088569) is N-butyl-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-methylpyridine-2-carboxamide.
What is the SMILES notation for N-butyl-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-methylpyridine-2-carboxamide?
The canonical SMILES for N-butyl-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-methylpyridine-2-carboxamide is CCCCN(C)C(=O)c1cc(C(=O)N2CCC3(CC2)OCCO3)ccn1.
What is the InChIKey of N-butyl-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-methylpyridine-2-carboxamide?
The InChIKey is PQVZVCKEGHBSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-3-4-9-21(2)18(24)16-14-15(5-8-20-16)17(23)22-10-6-19(7-11-22)25-12-13-26-19/h5,8,14H,3-4,6-7,9-13H2,1-2H3.
What are the key properties of N-butyl-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-methylpyridine-2-carboxamide?
N-butyl-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-methylpyridine-2-carboxamide has a molecular weight of 361.44 g/mol, XLogP of 1.93, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 109088569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).