N-(2-methoxyphenyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine-6-carboxamide

C15H21N3O2 — CID 102680601

IUPACN-(2-methoxyphenyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine-6-carboxamide
SMILESCOc1ccccc1NC(=O)N1CC2CCCNC2C1
InChIInChI=1S/C15H21N3O2/c1-20-14-7-3-2-6-12(14)17-15(19)18-9-11-5-4-8-16-13(11)10-18/h2-3,6-7,11,13,16H,4-5,8-10H2,1H3,(H,17,19)
InChIKeyNGPKAVQUZZCKQQ-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.91
Rot. Bonds2

About N-(2-methoxyphenyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine-6-carboxamide

N-(2-methoxyphenyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine-6-carboxamide (PubChem CID 102680601) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine-6-carboxamide
PubChem CID102680601
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-(2-methoxyphenyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine-6-carboxamide
SMILESCOc1ccccc1NC(=O)N1CC2CCCNC2C1
InChIInChI=1S/C15H21N3O2/c1-20-14-7-3-2-6-12(14)17-15(19)18-9-11-5-4-8-16-13(11)10-18/h2-3,6-7,11,13,16H,4-5,8-10H2,1H3,(H,17,19)
InChIKeyNGPKAVQUZZCKQQ-UHFFFAOYSA-N
XLogP1.91
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-methoxyphenyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine-6-carboxamide with MolForge

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Related Compounds

(4aS,7aS)-N-(2-fluorophenyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine-6-carboxamide
CID 102680653
1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl-(2,6-dimethoxyphenyl)methanone
CID 102680141
N-(2,4-difluorophenyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine-6-carboxamide
CID 102680613
(1R,2R,9S)-N-(2-methoxyphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carboxamide
CID 110195019
(3S)-1-N-(2-methoxyphenyl)piperidine-1,3-dicarboxamide
CID 7372009
(4aS,8aS)-N-(2-ethoxyphenyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxamide
CID 51944761
N-(2-methoxyphenyl)-4-(piperidine-1-carbonyl)piperidine-1-carboxamide
CID 27869689
4-cycloheptyl-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 113110513
1-(2-methoxyphenyl)-3-(pyrrolidin-2-ylmethyl)urea
CID 62539868
1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl-(2-methoxyphenyl)methanone
CID 53385289
3-(4-fluorophenyl)sulfonyl-N-(2-methoxyphenyl)azetidine-1-carboxamide
CID 90593173
N-(2-methoxyphenyl)-3-pyrimidin-2-yloxypiperidine-1-carboxamide
CID 122257523

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine-6-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine-6-carboxamide (CID 102680601) is N-(2-methoxyphenyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine-6-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine-6-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine-6-carboxamide is COc1ccccc1NC(=O)N1CC2CCCNC2C1.
What is the InChIKey of N-(2-methoxyphenyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine-6-carboxamide?
The InChIKey is NGPKAVQUZZCKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-20-14-7-3-2-6-12(14)17-15(19)18-9-11-5-4-8-16-13(11)10-18/h2-3,6-7,11,13,16H,4-5,8-10H2,1H3,(H,17,19).
What are the key properties of N-(2-methoxyphenyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine-6-carboxamide?
N-(2-methoxyphenyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine-6-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine-6-carboxamide is sourced from PubChem (CID 102680601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).