2-(6-methoxypyridine-3-carbonyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one

C20H29N3O3 — CID 156611676

IUPAC2-(6-methoxypyridine-3-carbonyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one
SMILESCOc1ccc(C(=O)N2CCCCCCN(C)C(=O)C3CCCC32)cn1
InChIInChI=1S/C20H29N3O3/c1-22-12-5-3-4-6-13-23(17-9-7-8-16(17)20(22)25)19(24)15-10-11-18(26-2)21-14-15/h10-11,14,16-17H,3-9,12-13H2,1-2H3
InChIKeyLDWHRLRMEYGFBD-UHFFFAOYSA-N
MW359.47 g/mol
LogP2.73
Rot. Bonds2

About 2-(6-methoxypyridine-3-carbonyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one

2-(6-methoxypyridine-3-carbonyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one (PubChem CID 156611676) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 2-(6-methoxypyridine-3-carbonyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one.

Molecular Properties

Compound Name2-(6-methoxypyridine-3-carbonyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one
PubChem CID156611676
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name2-(6-methoxypyridine-3-carbonyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one
SMILESCOc1ccc(C(=O)N2CCCCCCN(C)C(=O)C3CCCC32)cn1
InChIInChI=1S/C20H29N3O3/c1-22-12-5-3-4-6-13-23(17-9-7-8-16(17)20(22)25)19(24)15-10-11-18(26-2)21-14-15/h10-11,14,16-17H,3-9,12-13H2,1-2H3
InChIKeyLDWHRLRMEYGFBD-UHFFFAOYSA-N
XLogP2.73
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(6-methoxypyridine-3-carbonyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one with MolForge

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Related Compounds

(2R)-1-(6-methoxypyridine-3-carbonyl)piperidine-2-carboxylic acid
CID 79034423
(1S,11R)-2-(2,4-dimethoxybenzoyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one
CID 110199365
(1S,11R)-2-(6-methylpyridine-3-carbonyl)-2,9-diazabicyclo[9.3.0]tetradecan-10-one
CID 110199266
[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 96500930
1-(6-methoxypyridine-3-carbonyl)-2-methylpiperidine-4-carboxylic acid
CID 106741779
[6-[(2S)-1-(6-methoxypyridine-3-carbonyl)pyrrolidin-2-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 92623621
[(2R)-2,4-dimethylpiperazin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 97094124
(6-methoxy-3-pyridinyl)-[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]methanone
CID 124968333
[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 51111109
[(4R)-4-hydroxyazepan-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 124757534
(6-methoxy-3-pyridinyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 46975635
[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 27034302

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxypyridine-3-carbonyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one?
The IUPAC name of 2-(6-methoxypyridine-3-carbonyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one (CID 156611676) is 2-(6-methoxypyridine-3-carbonyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one.
What is the SMILES notation for 2-(6-methoxypyridine-3-carbonyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one?
The canonical SMILES for 2-(6-methoxypyridine-3-carbonyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one is COc1ccc(C(=O)N2CCCCCCN(C)C(=O)C3CCCC32)cn1.
What is the InChIKey of 2-(6-methoxypyridine-3-carbonyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one?
The InChIKey is LDWHRLRMEYGFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-22-12-5-3-4-6-13-23(17-9-7-8-16(17)20(22)25)19(24)15-10-11-18(26-2)21-14-15/h10-11,14,16-17H,3-9,12-13H2,1-2H3.
What are the key properties of 2-(6-methoxypyridine-3-carbonyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one?
2-(6-methoxypyridine-3-carbonyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one has a molecular weight of 359.47 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxypyridine-3-carbonyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one is sourced from PubChem (CID 156611676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).