1,2-dimethyl-5-pyridin-2-ylpyrrole-3-carboxamide

C12H13N3O — CID 116828513

IUPAC1,2-dimethyl-5-pyridin-2-ylpyrrole-3-carboxamide
SMILESCc1c(C(N)=O)cc(-c2ccccn2)n1C
InChIInChI=1S/C12H13N3O/c1-8-9(12(13)16)7-11(15(8)2)10-5-3-4-6-14-10/h3-7H,1-2H3,(H2,13,16)
InChIKeyFEUIFCRVWHYKCV-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.49
Rot. Bonds2

About 1,2-dimethyl-5-pyridin-2-ylpyrrole-3-carboxamide

1,2-dimethyl-5-pyridin-2-ylpyrrole-3-carboxamide (PubChem CID 116828513) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 1,2-dimethyl-5-pyridin-2-ylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1,2-dimethyl-5-pyridin-2-ylpyrrole-3-carboxamide
PubChem CID116828513
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name1,2-dimethyl-5-pyridin-2-ylpyrrole-3-carboxamide
SMILESCc1c(C(N)=O)cc(-c2ccccn2)n1C
InChIInChI=1S/C12H13N3O/c1-8-9(12(13)16)7-11(15(8)2)10-5-3-4-6-14-10/h3-7H,1-2H3,(H2,13,16)
InChIKeyFEUIFCRVWHYKCV-UHFFFAOYSA-N
XLogP1.49
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-5-pyridin-2-ylpyrrole-3-carboxamide
CID 68572857
5-(2-methoxyphenyl)-1,2-dimethylpyrrole-3-carboxamide
CID 116828514
5-(3,4-difluorophenyl)-1,2-dimethylpyrrole-3-carboxamide
CID 116828486
(3-amino-5-pyridin-2-yl-1,2,4-triazol-4-yl)-(1-methylindol-2-yl)methanone
CID 166399893
ethyl 3-pyridin-2-ylindolizine-1-carboxylate
CID 154722576
5-(1-methylpiperidin-4-yl)-3-pyridin-2-ylcinnoline-8-carboxamide
CID 175838933
2,3-dipyridin-2-ylpyridine-4-carboxamide
CID 141257158
4-amino-1,2-dimethyl-5-pyridin-2-ylpyrrole-3-carboxylic acid
CID 28805947
2-(1,4-dimethylpyrrol-2-yl)pyridine;ethane
CID 143140664
(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)methanamine
CID 82125481
2-methyl-5-[2-(naphthalen-1-ylamino)-1,3-thiazol-4-yl]-1-(2-pyridin-2-ylethyl)pyrrole-3-carboxamide
CID 134082337
5-(2-chlorophenyl)-2-methyl-1-propylpyrrole-3-carboxamide
CID 3854716

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-5-pyridin-2-ylpyrrole-3-carboxamide?
The IUPAC name of 1,2-dimethyl-5-pyridin-2-ylpyrrole-3-carboxamide (CID 116828513) is 1,2-dimethyl-5-pyridin-2-ylpyrrole-3-carboxamide.
What is the SMILES notation for 1,2-dimethyl-5-pyridin-2-ylpyrrole-3-carboxamide?
The canonical SMILES for 1,2-dimethyl-5-pyridin-2-ylpyrrole-3-carboxamide is Cc1c(C(N)=O)cc(-c2ccccn2)n1C.
What is the InChIKey of 1,2-dimethyl-5-pyridin-2-ylpyrrole-3-carboxamide?
The InChIKey is FEUIFCRVWHYKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-8-9(12(13)16)7-11(15(8)2)10-5-3-4-6-14-10/h3-7H,1-2H3,(H2,13,16).
What are the key properties of 1,2-dimethyl-5-pyridin-2-ylpyrrole-3-carboxamide?
1,2-dimethyl-5-pyridin-2-ylpyrrole-3-carboxamide has a molecular weight of 215.26 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-5-pyridin-2-ylpyrrole-3-carboxamide is sourced from PubChem (CID 116828513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).