N-[(3aR,4S,8bR)-2-butan-2-yl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]pyridine-4-carboxamide

C21H25N3O — CID 131679348

IUPACN-[(3aR,4S,8bR)-2-butan-2-yl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]pyridine-4-carboxamide
SMILESCCC(C)N1C[C@@H]2[C@H](NC(=O)c3ccncc3)c3ccccc3[C@@H]2C1
InChIInChI=1S/C21H25N3O/c1-3-14(2)24-12-18-16-6-4-5-7-17(16)20(19(18)13-24)23-21(25)15-8-10-22-11-9-15/h4-11,14,18-20H,3,12-13H2,1-2H3,(H,23,25)/t14?,18-,19-,20+/m0/s1
InChIKeyWMLQUPNRUUOMOA-QDHLSEFBSA-N
MW335.45 g/mol
LogP3.38
Rot. Bonds4

About N-[(3aR,4S,8bR)-2-butan-2-yl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]pyridine-4-carboxamide

N-[(3aR,4S,8bR)-2-butan-2-yl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]pyridine-4-carboxamide (PubChem CID 131679348) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is N-[(3aR,4S,8bR)-2-butan-2-yl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(3aR,4S,8bR)-2-butan-2-yl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]pyridine-4-carboxamide
PubChem CID131679348
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC NameN-[(3aR,4S,8bR)-2-butan-2-yl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]pyridine-4-carboxamide
SMILESCCC(C)N1C[C@@H]2[C@H](NC(=O)c3ccncc3)c3ccccc3[C@@H]2C1
InChIInChI=1S/C21H25N3O/c1-3-14(2)24-12-18-16-6-4-5-7-17(16)20(19(18)13-24)23-21(25)15-8-10-22-11-9-15/h4-11,14,18-20H,3,12-13H2,1-2H3,(H,23,25)/t14?,18-,19-,20+/m0/s1
InChIKeyWMLQUPNRUUOMOA-QDHLSEFBSA-N
XLogP3.38
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3aR,4S,8bR)-2-butan-2-yl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]pyridine-4-carboxamide with MolForge

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Related Compounds

N-[(3aR,4S,8bR)-2-butan-2-yl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]pyridine-4-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 155866999
N-[(3aR,4S,8bR)-2-acetyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]-4-imidazol-1-ylbenzamide
CID 97407807
N-[2-(2,6-dimethylmorpholin-4-yl)propyl]pyridine-4-carboxamide
CID 42958335
N-[(3aR,4S,8bR)-2-acetyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]-6-aminopyridine-3-carboxamide
CID 97448947
N-(1-propan-2-ylpiperidin-4-yl)pyridine-4-carboxamide
CID 25236647
N-[(3aR,4S,8bR)-2-(2-methylbutyl)-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]-2,2-dimethylpropanamide
CID 131679151
N-cyclohexylpyridine-4-carboxamide
CID 3436730
N-[(3aR,4S,8bR)-2-(2-methylbutyl)-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]-2-methoxyacetamide
CID 131679157
N-[(3aR,4R,8bR)-2-acetyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]-3-aminopyrazine-2-carboxamide
CID 97448963
N-(1-ethylpiperidin-4-yl)pyridine-4-carboxamide
CID 17249927
N-pentan-3-ylpyridine-4-carboxamide
CID 137320352
N-cyclopentylpyridine-4-carboxamide
CID 4212000

Frequently Asked Questions

What is the IUPAC name of N-[(3aR,4S,8bR)-2-butan-2-yl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]pyridine-4-carboxamide?
The IUPAC name of N-[(3aR,4S,8bR)-2-butan-2-yl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]pyridine-4-carboxamide (CID 131679348) is N-[(3aR,4S,8bR)-2-butan-2-yl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(3aR,4S,8bR)-2-butan-2-yl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[(3aR,4S,8bR)-2-butan-2-yl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]pyridine-4-carboxamide is CCC(C)N1C[C@@H]2[C@H](NC(=O)c3ccncc3)c3ccccc3[C@@H]2C1.
What is the InChIKey of N-[(3aR,4S,8bR)-2-butan-2-yl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]pyridine-4-carboxamide?
The InChIKey is WMLQUPNRUUOMOA-QDHLSEFBSA-N. The full InChI is InChI=1S/C21H25N3O/c1-3-14(2)24-12-18-16-6-4-5-7-17(16)20(19(18)13-24)23-21(25)15-8-10-22-11-9-15/h4-11,14,18-20H,3,12-13H2,1-2H3,(H,23,25)/t14?,18-,19-,20+/m0/s1.
What are the key properties of N-[(3aR,4S,8bR)-2-butan-2-yl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]pyridine-4-carboxamide?
N-[(3aR,4S,8bR)-2-butan-2-yl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]pyridine-4-carboxamide has a molecular weight of 335.45 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3aR,4S,8bR)-2-butan-2-yl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]pyridine-4-carboxamide is sourced from PubChem (CID 131679348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).