N-[[6-[3-(1-oxa-7-azaspiro[3.5]nonane-7-carbonyl)phenyl]-3-pyridinyl]methyl]acetamide

C22H25N3O3 — CID 118768623

IUPACN-[[6-[3-(1-oxa-7-azaspiro[3.5]nonane-7-carbonyl)phenyl]-3-pyridinyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(-c2cccc(C(=O)N3CCC4(CCO4)CC3)c2)nc1
InChIInChI=1S/C22H25N3O3/c1-16(26)23-14-17-5-6-20(24-15-17)18-3-2-4-19(13-18)21(27)25-10-7-22(8-11-25)9-12-28-22/h2-6,13,15H,7-12,14H2,1H3,(H,23,26)
InChIKeyYYTDOYTZXGPTLM-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.78
Rot. Bonds4

About N-[[6-[3-(1-oxa-7-azaspiro[3.5]nonane-7-carbonyl)phenyl]-3-pyridinyl]methyl]acetamide

N-[[6-[3-(1-oxa-7-azaspiro[3.5]nonane-7-carbonyl)phenyl]-3-pyridinyl]methyl]acetamide (PubChem CID 118768623) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[[6-[3-(1-oxa-7-azaspiro[3.5]nonane-7-carbonyl)phenyl]-3-pyridinyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[6-[3-(1-oxa-7-azaspiro[3.5]nonane-7-carbonyl)phenyl]-3-pyridinyl]methyl]acetamide
PubChem CID118768623
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-[[6-[3-(1-oxa-7-azaspiro[3.5]nonane-7-carbonyl)phenyl]-3-pyridinyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(-c2cccc(C(=O)N3CCC4(CCO4)CC3)c2)nc1
InChIInChI=1S/C22H25N3O3/c1-16(26)23-14-17-5-6-20(24-15-17)18-3-2-4-19(13-18)21(27)25-10-7-22(8-11-25)9-12-28-22/h2-6,13,15H,7-12,14H2,1H3,(H,23,26)
InChIKeyYYTDOYTZXGPTLM-UHFFFAOYSA-N
XLogP2.78
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[6-[3-(1-oxa-7-azaspiro[3.5]nonane-7-carbonyl)phenyl]-3-pyridinyl]methyl]acetamide with MolForge

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Related Compounds

N-[(6-phenyl-3-pyridinyl)methyl]acetamide
CID 143102890
3-[5-(acetamidomethyl)-2-pyridinyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzamide
CID 125179850
ethyl 2-[3-(1-oxa-7-azaspiro[3.5]nonane-7-carbonyl)phenyl]pyridine-3-carboxylate
CID 119068596
N-[[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-pyridinyl]methyl]acetamide
CID 112531337
(4,4-difluoropiperidin-1-yl)-[6-(3-ethylphenyl)-3-pyridinyl]methanone
CID 123839744
(3S)-1-[4-(acetamidomethyl)benzoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124681968
N-[[4-(4-hydroxypiperidine-1-carbonyl)phenyl]methyl]acetamide
CID 43393426
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 109085777
[3-[5-[(dimethylamino)methyl]-2-pyridinyl]phenyl]-(3-pyridin-3-ylazetidin-1-yl)methanone
CID 118761649
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide
CID 109085941
3-[5-[[(3R)-1-acetylpyrrolidin-3-yl]methyl]-2-pyridinyl]benzoic acid
CID 124984055
(5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[3-(1H-pyrazol-4-yl)phenyl]methanone
CID 74244805

Frequently Asked Questions

What is the IUPAC name of N-[[6-[3-(1-oxa-7-azaspiro[3.5]nonane-7-carbonyl)phenyl]-3-pyridinyl]methyl]acetamide?
The IUPAC name of N-[[6-[3-(1-oxa-7-azaspiro[3.5]nonane-7-carbonyl)phenyl]-3-pyridinyl]methyl]acetamide (CID 118768623) is N-[[6-[3-(1-oxa-7-azaspiro[3.5]nonane-7-carbonyl)phenyl]-3-pyridinyl]methyl]acetamide.
What is the SMILES notation for N-[[6-[3-(1-oxa-7-azaspiro[3.5]nonane-7-carbonyl)phenyl]-3-pyridinyl]methyl]acetamide?
The canonical SMILES for N-[[6-[3-(1-oxa-7-azaspiro[3.5]nonane-7-carbonyl)phenyl]-3-pyridinyl]methyl]acetamide is CC(=O)NCc1ccc(-c2cccc(C(=O)N3CCC4(CCO4)CC3)c2)nc1.
What is the InChIKey of N-[[6-[3-(1-oxa-7-azaspiro[3.5]nonane-7-carbonyl)phenyl]-3-pyridinyl]methyl]acetamide?
The InChIKey is YYTDOYTZXGPTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-16(26)23-14-17-5-6-20(24-15-17)18-3-2-4-19(13-18)21(27)25-10-7-22(8-11-25)9-12-28-22/h2-6,13,15H,7-12,14H2,1H3,(H,23,26).
What are the key properties of N-[[6-[3-(1-oxa-7-azaspiro[3.5]nonane-7-carbonyl)phenyl]-3-pyridinyl]methyl]acetamide?
N-[[6-[3-(1-oxa-7-azaspiro[3.5]nonane-7-carbonyl)phenyl]-3-pyridinyl]methyl]acetamide has a molecular weight of 379.46 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[3-(1-oxa-7-azaspiro[3.5]nonane-7-carbonyl)phenyl]-3-pyridinyl]methyl]acetamide is sourced from PubChem (CID 118768623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).