2-methyl-1-propan-2-yl-5-pyridin-4-ylpyrrole-3-carboxamide

C14H17N3O — CID 91672285

IUPAC2-methyl-1-propan-2-yl-5-pyridin-4-ylpyrrole-3-carboxamide
SMILESCc1c(C(N)=O)cc(-c2ccncc2)n1C(C)C
InChIInChI=1S/C14H17N3O/c1-9(2)17-10(3)12(14(15)18)8-13(17)11-4-6-16-7-5-11/h4-9H,1-3H3,(H2,15,18)
InChIKeySOMXLMXLPPKTHR-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.54
Rot. Bonds3

About 2-methyl-1-propan-2-yl-5-pyridin-4-ylpyrrole-3-carboxamide

2-methyl-1-propan-2-yl-5-pyridin-4-ylpyrrole-3-carboxamide (PubChem CID 91672285) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-methyl-1-propan-2-yl-5-pyridin-4-ylpyrrole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-1-propan-2-yl-5-pyridin-4-ylpyrrole-3-carboxamide
PubChem CID91672285
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-methyl-1-propan-2-yl-5-pyridin-4-ylpyrrole-3-carboxamide
SMILESCc1c(C(N)=O)cc(-c2ccncc2)n1C(C)C
InChIInChI=1S/C14H17N3O/c1-9(2)17-10(3)12(14(15)18)8-13(17)11-4-6-16-7-5-11/h4-9H,1-3H3,(H2,15,18)
InChIKeySOMXLMXLPPKTHR-UHFFFAOYSA-N
XLogP2.54
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-propan-2-yl-5-pyridin-4-ylpyrrole-3-carboxamide?
The IUPAC name of 2-methyl-1-propan-2-yl-5-pyridin-4-ylpyrrole-3-carboxamide (CID 91672285) is 2-methyl-1-propan-2-yl-5-pyridin-4-ylpyrrole-3-carboxamide.
What is the SMILES notation for 2-methyl-1-propan-2-yl-5-pyridin-4-ylpyrrole-3-carboxamide?
The canonical SMILES for 2-methyl-1-propan-2-yl-5-pyridin-4-ylpyrrole-3-carboxamide is Cc1c(C(N)=O)cc(-c2ccncc2)n1C(C)C.
What is the InChIKey of 2-methyl-1-propan-2-yl-5-pyridin-4-ylpyrrole-3-carboxamide?
The InChIKey is SOMXLMXLPPKTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-9(2)17-10(3)12(14(15)18)8-13(17)11-4-6-16-7-5-11/h4-9H,1-3H3,(H2,15,18).
What are the key properties of 2-methyl-1-propan-2-yl-5-pyridin-4-ylpyrrole-3-carboxamide?
2-methyl-1-propan-2-yl-5-pyridin-4-ylpyrrole-3-carboxamide has a molecular weight of 243.31 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-propan-2-yl-5-pyridin-4-ylpyrrole-3-carboxamide is sourced from PubChem (CID 91672285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).