N-(2-methoxy-2-methylpropyl)-1-pyrimidin-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide

C18H28N4O2 — CID 75523158

IUPACN-(2-methoxy-2-methylpropyl)-1-pyrimidin-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide
SMILESCOC(C)(C)CNC(=O)C1CC2CCCCC2N1c1ncccn1
InChIInChI=1S/C18H28N4O2/c1-18(2,24-3)12-21-16(23)15-11-13-7-4-5-8-14(13)22(15)17-19-9-6-10-20-17/h6,9-10,13-15H,4-5,7-8,11-12H2,1-3H3,(H,21,23)
InChIKeyABYYQPFASQBXDB-UHFFFAOYSA-N
MW332.45 g/mol
LogP2.16
Rot. Bonds5

About N-(2-methoxy-2-methylpropyl)-1-pyrimidin-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide

N-(2-methoxy-2-methylpropyl)-1-pyrimidin-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide (PubChem CID 75523158) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is N-(2-methoxy-2-methylpropyl)-1-pyrimidin-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-2-methylpropyl)-1-pyrimidin-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide
PubChem CID75523158
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC NameN-(2-methoxy-2-methylpropyl)-1-pyrimidin-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide
SMILESCOC(C)(C)CNC(=O)C1CC2CCCCC2N1c1ncccn1
InChIInChI=1S/C18H28N4O2/c1-18(2,24-3)12-21-16(23)15-11-13-7-4-5-8-14(13)22(15)17-19-9-6-10-20-17/h6,9-10,13-15H,4-5,7-8,11-12H2,1-3H3,(H,21,23)
InChIKeyABYYQPFASQBXDB-UHFFFAOYSA-N
XLogP2.16
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methylpyrazol-3-yl)methyl]-1-pyrimidin-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide
CID 75504292
(2S,3aR,7aS)-N-[2-[ethyl(methyl)amino]ethyl]-1-pyrimidin-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide
CID 98892065
(2S,3aS,7aS)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-pyrimidin-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide
CID 97352414
(2S,3aS,7aS)-1-pyrimidin-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 30121070
(2S,3aS,7aS)-1-(4-cyano-6-methyl-1,3,5-triazin-2-yl)-N-(2-methoxyethyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide
CID 177054948
(2R)-1-pyrimidin-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 95302854
[(2S,3aS,7aS)-1-pyrimidin-2-yl-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]-(4-imidazol-1-ylpiperidin-1-yl)methanone
CID 98857729
[(2S,3aR,7aR)-1-pyrimidin-2-yl-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]-(4-imidazol-1-ylpiperidin-1-yl)methanone
CID 124856904
2-amino-N-(2-methoxy-2-methylpropyl)cycloheptane-1-carboxamide
CID 113266935
methyl 2-[[(2S,3aR,7aR)-1-benzoyl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]amino]acetate
CID 124776472
1-(4-methoxy-4-methylpentan-2-yl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 66469736
N-(cyanomethyl)-1-pyrimidin-2-ylpiperidine-2-carboxamide
CID 138041639

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-2-methylpropyl)-1-pyrimidin-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide?
The IUPAC name of N-(2-methoxy-2-methylpropyl)-1-pyrimidin-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide (CID 75523158) is N-(2-methoxy-2-methylpropyl)-1-pyrimidin-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide.
What is the SMILES notation for N-(2-methoxy-2-methylpropyl)-1-pyrimidin-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide?
The canonical SMILES for N-(2-methoxy-2-methylpropyl)-1-pyrimidin-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide is COC(C)(C)CNC(=O)C1CC2CCCCC2N1c1ncccn1.
What is the InChIKey of N-(2-methoxy-2-methylpropyl)-1-pyrimidin-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide?
The InChIKey is ABYYQPFASQBXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-18(2,24-3)12-21-16(23)15-11-13-7-4-5-8-14(13)22(15)17-19-9-6-10-20-17/h6,9-10,13-15H,4-5,7-8,11-12H2,1-3H3,(H,21,23).
What are the key properties of N-(2-methoxy-2-methylpropyl)-1-pyrimidin-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide?
N-(2-methoxy-2-methylpropyl)-1-pyrimidin-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-2-methylpropyl)-1-pyrimidin-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide is sourced from PubChem (CID 75523158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).