(4-amino-1-ethylpyrrol-2-yl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone

C16H25N3O — CID 114459636

IUPAC(4-amino-1-ethylpyrrol-2-yl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESCCn1cc(N)cc1C(=O)N1CC=C(C(C)(C)C)CC1
InChIInChI=1S/C16H25N3O/c1-5-18-11-13(17)10-14(18)15(20)19-8-6-12(7-9-19)16(2,3)4/h6,10-11H,5,7-9,17H2,1-4H3
InChIKeyLKTBLDCDQCTKEP-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.91
Rot. Bonds2

About (4-amino-1-ethylpyrrol-2-yl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone

(4-amino-1-ethylpyrrol-2-yl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone (PubChem CID 114459636) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is (4-amino-1-ethylpyrrol-2-yl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-1-ethylpyrrol-2-yl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone
PubChem CID114459636
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name(4-amino-1-ethylpyrrol-2-yl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESCCn1cc(N)cc1C(=O)N1CC=C(C(C)(C)C)CC1
InChIInChI=1S/C16H25N3O/c1-5-18-11-13(17)10-14(18)15(20)19-8-6-12(7-9-19)16(2,3)4/h6,10-11H,5,7-9,17H2,1-4H3
InChIKeyLKTBLDCDQCTKEP-UHFFFAOYSA-N
XLogP2.91
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (4-amino-1-ethylpyrrol-2-yl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone with MolForge

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Related Compounds

1-[4-(4-amino-1-ethylpyrrole-2-carbonyl)piperazin-1-yl]-2-methylpropan-1-one
CID 61106835
(4-amino-5-methylthiophen-2-yl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114459638
(4-amino-1-ethylpyrrol-2-yl)-(4-butan-2-ylpiperazin-1-yl)methanone
CID 62774779
(4-amino-3-bromophenyl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114460020
(5-amino-2-fluorophenyl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114459701
(4-amino-1-ethylpyrrol-2-yl)-(2-methylmorpholin-4-yl)methanone
CID 43642024
(5-amino-2-fluoro-3-methylphenyl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 103296901
(4-amino-1-propylpyrrol-2-yl)-(4-ethylpiperazin-1-yl)methanone
CID 43642162
(4-amino-1-ethylpyrrol-2-yl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
CID 81459512
(3-amino-4-bromophenyl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114459659
1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3,3,3-trifluoropropan-1-one
CID 121450240
1-(4-amino-1-ethylpyrrole-2-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317446

Frequently Asked Questions

What is the IUPAC name of (4-amino-1-ethylpyrrol-2-yl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The IUPAC name of (4-amino-1-ethylpyrrol-2-yl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone (CID 114459636) is (4-amino-1-ethylpyrrol-2-yl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone.
What is the SMILES notation for (4-amino-1-ethylpyrrol-2-yl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The canonical SMILES for (4-amino-1-ethylpyrrol-2-yl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone is CCn1cc(N)cc1C(=O)N1CC=C(C(C)(C)C)CC1.
What is the InChIKey of (4-amino-1-ethylpyrrol-2-yl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The InChIKey is LKTBLDCDQCTKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-5-18-11-13(17)10-14(18)15(20)19-8-6-12(7-9-19)16(2,3)4/h6,10-11H,5,7-9,17H2,1-4H3.
What are the key properties of (4-amino-1-ethylpyrrol-2-yl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
(4-amino-1-ethylpyrrol-2-yl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone has a molecular weight of 275.40 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1-ethylpyrrol-2-yl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone is sourced from PubChem (CID 114459636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).