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

C21H23N3O5 — CID 109088591

IUPAC4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-methoxyphenyl)pyridine-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1cc(C(=O)N2CCC3(CC2)OCCO3)ccn1
InChIInChI=1S/C21H23N3O5/c1-27-18-5-3-2-4-16(18)23-19(25)17-14-15(6-9-22-17)20(26)24-10-7-21(8-11-24)28-12-13-29-21/h2-6,9,14H,7-8,10-13H2,1H3,(H,23,25)
InChIKeyDRSTVBAGUFPUJT-UHFFFAOYSA-N
MW397.43 g/mol
LogP2.32
Rot. Bonds4

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

4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-methoxyphenyl)pyridine-2-carboxamide (PubChem CID 109088591) has the molecular formula C21H23N3O5 and a molecular weight of 397.43 g/mol. Its IUPAC name is 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-methoxyphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-methoxyphenyl)pyridine-2-carboxamide
PubChem CID109088591
Molecular FormulaC21H23N3O5
Molecular Weight397.43 g/mol
Exact Mass397.16
IUPAC Name4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-methoxyphenyl)pyridine-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1cc(C(=O)N2CCC3(CC2)OCCO3)ccn1
InChIInChI=1S/C21H23N3O5/c1-27-18-5-3-2-4-16(18)23-19(25)17-14-15(6-9-22-17)20(26)24-10-7-21(8-11-24)28-12-13-29-21/h2-6,9,14H,7-8,10-13H2,1H3,(H,23,25)
InChIKeyDRSTVBAGUFPUJT-UHFFFAOYSA-N
XLogP2.32
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-methylphenyl)pyridine-2-carboxamide
CID 109088575
3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-methoxyphenyl)benzamide
CID 109055730
N-(2,4-dimethoxyphenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-2-carboxamide
CID 109215720
2-(4-formylpiperazine-1-carbonyl)-N-(2-methoxyphenyl)pyridine-4-carboxamide
CID 109084818
4-[(2-methoxyphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 115730044
N-(2,5-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-4-carboxamide
CID 109088616
methyl 2-[[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-pyridinyl]amino]benzoate
CID 109174012
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-pentylpyridine-2-carboxamide
CID 109088568
4-(4-acetylpiperazine-1-carbonyl)-N-(2-methylphenyl)pyridine-2-carboxamide
CID 109084885
2-N-(2-fluorophenyl)-4-N-(2-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109092647
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide
CID 109085941

Frequently Asked Questions

What is the IUPAC name of 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-methoxyphenyl)pyridine-2-carboxamide?
The IUPAC name of 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-methoxyphenyl)pyridine-2-carboxamide (CID 109088591) is 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-methoxyphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-methoxyphenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-methoxyphenyl)pyridine-2-carboxamide is COc1ccccc1NC(=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-(2-methoxyphenyl)pyridine-2-carboxamide?
The InChIKey is DRSTVBAGUFPUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5/c1-27-18-5-3-2-4-16(18)23-19(25)17-14-15(6-9-22-17)20(26)24-10-7-21(8-11-24)28-12-13-29-21/h2-6,9,14H,7-8,10-13H2,1H3,(H,23,25).
What are the key properties of 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-methoxyphenyl)pyridine-2-carboxamide?
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-methoxyphenyl)pyridine-2-carboxamide has a molecular weight of 397.43 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-methoxyphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109088591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).