N-[4-[(1S,16S)-3-oxo-10-oxa-2,17-diazatricyclo[14.4.0.04,9]icosa-4,6,8-triene-17-carbonyl]-2-pyridinyl]acetamide

C25H30N4O4 — CID 155984568

IUPACN-[4-[(1S,16S)-3-oxo-10-oxa-2,17-diazatricyclo[14.4.0.04,9]icosa-4,6,8-triene-17-carbonyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(C(=O)N2CCC[C@@H]3NC(=O)c4ccccc4OCCCCC[C@@H]32)ccn1
InChIInChI=1S/C25H30N4O4/c1-17(30)27-23-16-18(12-13-26-23)25(32)29-14-7-9-20-21(29)10-3-2-6-15-33-22-11-5-4-8-19(22)24(31)28-20/h4-5,8,11-13,16,20-21H,2-3,6-7,9-10,14-15H2,1H3,(H,28,31)(H,26,27,30)/t20-,21-/m0/s1
InChIKeyZXMAWSNNIWWMOJ-SFTDATJTSA-N
MW450.54 g/mol
LogP3.40
Rot. Bonds2

About N-[4-[(1S,16S)-3-oxo-10-oxa-2,17-diazatricyclo[14.4.0.04,9]icosa-4,6,8-triene-17-carbonyl]-2-pyridinyl]acetamide

N-[4-[(1S,16S)-3-oxo-10-oxa-2,17-diazatricyclo[14.4.0.04,9]icosa-4,6,8-triene-17-carbonyl]-2-pyridinyl]acetamide (PubChem CID 155984568) has the molecular formula C25H30N4O4 and a molecular weight of 450.54 g/mol. Its IUPAC name is N-[4-[(1S,16S)-3-oxo-10-oxa-2,17-diazatricyclo[14.4.0.04,9]icosa-4,6,8-triene-17-carbonyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[(1S,16S)-3-oxo-10-oxa-2,17-diazatricyclo[14.4.0.04,9]icosa-4,6,8-triene-17-carbonyl]-2-pyridinyl]acetamide
PubChem CID155984568
Molecular FormulaC25H30N4O4
Molecular Weight450.54 g/mol
Exact Mass450.23
IUPAC NameN-[4-[(1S,16S)-3-oxo-10-oxa-2,17-diazatricyclo[14.4.0.04,9]icosa-4,6,8-triene-17-carbonyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(C(=O)N2CCC[C@@H]3NC(=O)c4ccccc4OCCCCC[C@@H]32)ccn1
InChIInChI=1S/C25H30N4O4/c1-17(30)27-23-16-18(12-13-26-23)25(32)29-14-7-9-20-21(29)10-3-2-6-15-33-22-11-5-4-8-19(22)24(31)28-20/h4-5,8,11-13,16,20-21H,2-3,6-7,9-10,14-15H2,1H3,(H,28,31)(H,26,27,30)/t20-,21-/m0/s1
InChIKeyZXMAWSNNIWWMOJ-SFTDATJTSA-N
XLogP3.40
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[(1S,16S)-3-oxo-10-oxa-2,17-diazatricyclo[14.4.0.04,9]icosa-4,6,8-triene-17-carbonyl]-2-pyridinyl]acetamide with MolForge

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Related Compounds

(1S,16S)-17-(4-methyl-1,3-oxazole-5-carbonyl)-10-oxa-2,17-diazatricyclo[14.4.0.04,9]icosa-4,6,8-trien-3-one
CID 110063362
(1S,13E,16S)-17-(2-methoxypyridine-3-carbonyl)-10-oxa-2,17-diazatricyclo[14.4.0.04,9]icosa-4,6,8,13-tetraen-3-one
CID 133072558
N-[4-[(2S)-2-(1H-pyrazol-5-yl)piperidine-1-carbonyl]-2-pyridinyl]acetamide
CID 124985015
(1S,13E,16S)-17-(2-methyl-1,3-thiazole-4-carbonyl)-10-oxa-2,17-diazatricyclo[14.4.0.04,9]icosa-4,6,8,13-tetraen-3-one
CID 110063279
(1S,13E,16S)-17-[2-(2-oxopyrimidin-1-yl)acetyl]-10-oxa-2,17-diazatricyclo[14.4.0.04,9]icosa-4,6,8,13-tetraen-3-one
CID 133072577
N-[4-[(2S)-2-pyrazin-2-ylpyrrolidine-1-carbonyl]-2-pyridinyl]acetamide
CID 124966721
(1R,16S)-18-(4-methyl-1,3-oxazole-5-carbonyl)-10-oxa-2,18-diazatricyclo[14.4.0.04,9]icosa-4,6,8-trien-3-one
CID 110063473
(1R,16S)-18-(3-methyl-1,2-oxazole-5-carbonyl)-10-oxa-2,18-diazatricyclo[14.4.0.04,9]icosa-4,6,8-trien-3-one
CID 155987392
(6R,11R,13E)-10-(1-methylbenzimidazole-5-carbonyl)-2-oxa-5,10-diazatricyclo[14.4.0.06,11]icosa-1(20),13,16,18-tetraen-4-one
CID 133067849
[2-(methylamino)-4-pyridinyl]-(2-methylpiperidin-1-yl)methanone
CID 62172868
N-[4-[(2S)-2-[2-(2-methyl-4-pyridinyl)ethyl]pyrrolidine-1-carbonyl]-2-pyridinyl]acetamide
CID 124996167
N-[4-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidine-1-carbonyl]-2-pyridinyl]acetamide
CID 127247023

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1S,16S)-3-oxo-10-oxa-2,17-diazatricyclo[14.4.0.04,9]icosa-4,6,8-triene-17-carbonyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[(1S,16S)-3-oxo-10-oxa-2,17-diazatricyclo[14.4.0.04,9]icosa-4,6,8-triene-17-carbonyl]-2-pyridinyl]acetamide (CID 155984568) is N-[4-[(1S,16S)-3-oxo-10-oxa-2,17-diazatricyclo[14.4.0.04,9]icosa-4,6,8-triene-17-carbonyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[(1S,16S)-3-oxo-10-oxa-2,17-diazatricyclo[14.4.0.04,9]icosa-4,6,8-triene-17-carbonyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[(1S,16S)-3-oxo-10-oxa-2,17-diazatricyclo[14.4.0.04,9]icosa-4,6,8-triene-17-carbonyl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(C(=O)N2CCC[C@@H]3NC(=O)c4ccccc4OCCCCC[C@@H]32)ccn1.
What is the InChIKey of N-[4-[(1S,16S)-3-oxo-10-oxa-2,17-diazatricyclo[14.4.0.04,9]icosa-4,6,8-triene-17-carbonyl]-2-pyridinyl]acetamide?
The InChIKey is ZXMAWSNNIWWMOJ-SFTDATJTSA-N. The full InChI is InChI=1S/C25H30N4O4/c1-17(30)27-23-16-18(12-13-26-23)25(32)29-14-7-9-20-21(29)10-3-2-6-15-33-22-11-5-4-8-19(22)24(31)28-20/h4-5,8,11-13,16,20-21H,2-3,6-7,9-10,14-15H2,1H3,(H,28,31)(H,26,27,30)/t20-,21-/m0/s1.
What are the key properties of N-[4-[(1S,16S)-3-oxo-10-oxa-2,17-diazatricyclo[14.4.0.04,9]icosa-4,6,8-triene-17-carbonyl]-2-pyridinyl]acetamide?
N-[4-[(1S,16S)-3-oxo-10-oxa-2,17-diazatricyclo[14.4.0.04,9]icosa-4,6,8-triene-17-carbonyl]-2-pyridinyl]acetamide has a molecular weight of 450.54 g/mol, XLogP of 3.40, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1S,16S)-3-oxo-10-oxa-2,17-diazatricyclo[14.4.0.04,9]icosa-4,6,8-triene-17-carbonyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 155984568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).