4-amino-N-(2-methoxy-5-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide

C16H21N3O2 — CID 43642946

IUPAC4-amino-N-(2-methoxy-5-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1cc(N)cn1C(C)C
InChIInChI=1S/C16H21N3O2/c1-10(2)19-9-12(17)8-14(19)16(20)18-13-7-11(3)5-6-15(13)21-4/h5-10H,17H2,1-4H3,(H,18,20)
InChIKeyTUTBNOXNDLVNQE-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.22
Rot. Bonds4

About 4-amino-N-(2-methoxy-5-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide

4-amino-N-(2-methoxy-5-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 43642946) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-amino-N-(2-methoxy-5-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-methoxy-5-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID43642946
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name4-amino-N-(2-methoxy-5-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1cc(N)cn1C(C)C
InChIInChI=1S/C16H21N3O2/c1-10(2)19-9-12(17)8-14(19)16(20)18-13-7-11(3)5-6-15(13)21-4/h5-10H,17H2,1-4H3,(H,18,20)
InChIKeyTUTBNOXNDLVNQE-UHFFFAOYSA-N
XLogP3.22
TPSA69.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(2-fluoro-4-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43643166
4-amino-N-(4-methoxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43642223
4-amino-N-(5-bromo-2-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43805816
N-(2-methoxy-5-methylphenyl)-5-methyl-1-propan-2-ylpyrazole-3-carboxamide
CID 110681625
ethane;(2-methoxy-5-methylphenyl)urea
CID 142042876
4-bromo-N-(2-methoxy-5-methylphenyl)-1-methylpyrrole-2-carboxamide
CID 17410270
N-(2-methoxy-5-methylphenyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 41485518
(2S)-2-amino-N-(2-methoxy-5-methylphenyl)propanamide
CID 22690513
4-N,5-N-bis(2-methoxy-5-methylphenyl)-1-methylpyrazole-4,5-dicarboxamide
CID 29096938
4-bromo-N-(2-methoxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43640762
4-amino-N-(2-bromo-5-fluorophenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 107624248
4-chloro-N-(2-methoxy-5-methylphenyl)-1-methylpyrazole-5-carboxamide
CID 6465441

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-methoxy-5-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(2-methoxy-5-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide (CID 43642946) is 4-amino-N-(2-methoxy-5-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(2-methoxy-5-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(2-methoxy-5-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide is COc1ccc(C)cc1NC(=O)c1cc(N)cn1C(C)C.
What is the InChIKey of 4-amino-N-(2-methoxy-5-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is TUTBNOXNDLVNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-10(2)19-9-12(17)8-14(19)16(20)18-13-7-11(3)5-6-15(13)21-4/h5-10H,17H2,1-4H3,(H,18,20).
What are the key properties of 4-amino-N-(2-methoxy-5-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide?
4-amino-N-(2-methoxy-5-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-methoxy-5-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 43642946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).