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

C19H27N3O4 — CID 109088568

IUPAC4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-pentylpyridine-2-carboxamide
SMILESCCCCCNC(=O)c1cc(C(=O)N2CCC3(CC2)OCCO3)ccn1
InChIInChI=1S/C19H27N3O4/c1-2-3-4-8-21-17(23)16-14-15(5-9-20-16)18(24)22-10-6-19(7-11-22)25-12-13-26-19/h5,9,14H,2-4,6-8,10-13H2,1H3,(H,21,23)
InChIKeyMTAHZEIGMJBSRQ-UHFFFAOYSA-N
MW361.44 g/mol
LogP1.98
Rot. Bonds6

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

4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-pentylpyridine-2-carboxamide (PubChem CID 109088568) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-pentylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-pentylpyridine-2-carboxamide
PubChem CID109088568
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Name4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-pentylpyridine-2-carboxamide
SMILESCCCCCNC(=O)c1cc(C(=O)N2CCC3(CC2)OCCO3)ccn1
InChIInChI=1S/C19H27N3O4/c1-2-3-4-8-21-17(23)16-14-15(5-9-20-16)18(24)22-10-6-19(7-11-22)25-12-13-26-19/h5,9,14H,2-4,6-8,10-13H2,1H3,(H,21,23)
InChIKeyMTAHZEIGMJBSRQ-UHFFFAOYSA-N
XLogP1.98
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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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
N-butyl-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-methylpyridine-2-carboxamide
CID 109088569
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide
CID 109085941
4-(4-formylpiperazine-1-carbonyl)-N-pentylpyridine-2-carboxamide
CID 109084669
N-[2-(cyclohexen-1-yl)ethyl]-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-2-carboxamide
CID 109082072
N-[2-(dimethylamino)ethyl]-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-4-carboxamide
CID 109083433
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 109085777
2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N,N-dipropylpyridine-4-carboxamide
CID 109088607
ethyl 4-[2-(butylcarbamoyl)pyridine-4-carbonyl]piperazine-1-carboxylate
CID 109079428
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-methylphenyl)pyridine-2-carboxamide
CID 109088575
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(pentylamino)pyrimidin-5-yl]methanone
CID 109261570
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-ethyl-N-phenylpyridine-2-carboxamide
CID 109088588

Frequently Asked Questions

What is the IUPAC name of 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-pentylpyridine-2-carboxamide?
The IUPAC name of 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-pentylpyridine-2-carboxamide (CID 109088568) is 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-pentylpyridine-2-carboxamide.
What is the SMILES notation for 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-pentylpyridine-2-carboxamide?
The canonical SMILES for 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-pentylpyridine-2-carboxamide is CCCCCNC(=O)c1cc(C(=O)N2CCC3(CC2)OCCO3)ccn1.
What is the InChIKey of 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-pentylpyridine-2-carboxamide?
The InChIKey is MTAHZEIGMJBSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-2-3-4-8-21-17(23)16-14-15(5-9-20-16)18(24)22-10-6-19(7-11-22)25-12-13-26-19/h5,9,14H,2-4,6-8,10-13H2,1H3,(H,21,23).
What are the key properties of 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-pentylpyridine-2-carboxamide?
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-pentylpyridine-2-carboxamide has a molecular weight of 361.44 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-pentylpyridine-2-carboxamide is sourced from PubChem (CID 109088568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).