7-methyl-N-[(2-methylpyrazolidin-3-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide

C15H28N4O — CID 167380536

IUPAC7-methyl-N-[(2-methylpyrazolidin-3-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
SMILESCC1CCCC2CC(C(=O)NCC3CCNN3C)NC12
InChIInChI=1S/C15H28N4O/c1-10-4-3-5-11-8-13(18-14(10)11)15(20)16-9-12-6-7-17-19(12)2/h10-14,17-18H,3-9H2,1-2H3,(H,16,20)
InChIKeyOEUDWOLNJTVVKL-UHFFFAOYSA-N
MW280.42 g/mol
LogP0.48
Rot. Bonds3

About 7-methyl-N-[(2-methylpyrazolidin-3-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide

7-methyl-N-[(2-methylpyrazolidin-3-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (PubChem CID 167380536) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 7-methyl-N-[(2-methylpyrazolidin-3-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.

Molecular Properties

Compound Name7-methyl-N-[(2-methylpyrazolidin-3-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
PubChem CID167380536
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name7-methyl-N-[(2-methylpyrazolidin-3-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
SMILESCC1CCCC2CC(C(=O)NCC3CCNN3C)NC12
InChIInChI=1S/C15H28N4O/c1-10-4-3-5-11-8-13(18-14(10)11)15(20)16-9-12-6-7-17-19(12)2/h10-14,17-18H,3-9H2,1-2H3,(H,16,20)
InChIKeyOEUDWOLNJTVVKL-UHFFFAOYSA-N
XLogP0.48
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

7-methyl-N-[1-(1-methylpyrazolidin-3-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 147438079
N-[(R)-cyclopropyl-(3-methylpiperidin-2-yl)methyl]-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 148599613
7-methyl-N-[[1-(2-morpholin-4-ylcyclohexyl)cyclopropyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 167348569
7-methyl-N-[7-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 147666958
N-[(1S)-1-(2-chlorocyclohexyl)ethyl]-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 146759780
N-[cyclopropyl-(3-ethylpiperidin-2-yl)methyl]-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 167348549
(1S,3S,5S)-N-(cyclobutylmethyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide;hydrochloride
CID 131008534
7-methyl-N-[4-methyl-3-(morpholin-4-ylmethyl)cyclohexyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 167348575
N-[4-(dimethylamino)-1-(3-methylpiperidin-2-yl)-4-oxobutyl]-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 167348686
N-[[5-(azetidin-3-ylcarbamoyl)-3-methylpiperidin-2-yl]-cyclopropylmethyl]-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 167348826
(2R)-N-[(2-methylcyclopropyl)methyl]pyrrolidine-2-carboxamide
CID 103795243
N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66470158

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-[(2-methylpyrazolidin-3-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The IUPAC name of 7-methyl-N-[(2-methylpyrazolidin-3-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (CID 167380536) is 7-methyl-N-[(2-methylpyrazolidin-3-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.
What is the SMILES notation for 7-methyl-N-[(2-methylpyrazolidin-3-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The canonical SMILES for 7-methyl-N-[(2-methylpyrazolidin-3-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is CC1CCCC2CC(C(=O)NCC3CCNN3C)NC12.
What is the InChIKey of 7-methyl-N-[(2-methylpyrazolidin-3-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The InChIKey is OEUDWOLNJTVVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-10-4-3-5-11-8-13(18-14(10)11)15(20)16-9-12-6-7-17-19(12)2/h10-14,17-18H,3-9H2,1-2H3,(H,16,20).
What are the key properties of 7-methyl-N-[(2-methylpyrazolidin-3-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
7-methyl-N-[(2-methylpyrazolidin-3-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide has a molecular weight of 280.42 g/mol, XLogP of 0.48, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-[(2-methylpyrazolidin-3-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is sourced from PubChem (CID 167380536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).