methyl 2,4-dimethyl-5-[(5-methyl-2-pyridinyl)carbamoyl]-1H-pyrrole-3-carboxylate

C15H17N3O3 — CID 17408129

IUPACmethyl 2,4-dimethyl-5-[(5-methyl-2-pyridinyl)carbamoyl]-1H-pyrrole-3-carboxylate
SMILESCOC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(C)cn2)c1C
InChIInChI=1S/C15H17N3O3/c1-8-5-6-11(16-7-8)18-14(19)13-9(2)12(10(3)17-13)15(20)21-4/h5-7,17H,1-4H3,(H,16,18,19)
InChIKeyQRSKKKVXTQEJML-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.37
Rot. Bonds3

About methyl 2,4-dimethyl-5-[(5-methyl-2-pyridinyl)carbamoyl]-1H-pyrrole-3-carboxylate

methyl 2,4-dimethyl-5-[(5-methyl-2-pyridinyl)carbamoyl]-1H-pyrrole-3-carboxylate (PubChem CID 17408129) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is methyl 2,4-dimethyl-5-[(5-methyl-2-pyridinyl)carbamoyl]-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 2,4-dimethyl-5-[(5-methyl-2-pyridinyl)carbamoyl]-1H-pyrrole-3-carboxylate
PubChem CID17408129
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Namemethyl 2,4-dimethyl-5-[(5-methyl-2-pyridinyl)carbamoyl]-1H-pyrrole-3-carboxylate
SMILESCOC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(C)cn2)c1C
InChIInChI=1S/C15H17N3O3/c1-8-5-6-11(16-7-8)18-14(19)13-9(2)12(10(3)17-13)15(20)21-4/h5-7,17H,1-4H3,(H,16,18,19)
InChIKeyQRSKKKVXTQEJML-UHFFFAOYSA-N
XLogP2.37
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2,4-dimethyl-5-[(5-methyl-2-pyridinyl)carbamoyl]-1H-pyrrole-3-carboxylate?
The IUPAC name of methyl 2,4-dimethyl-5-[(5-methyl-2-pyridinyl)carbamoyl]-1H-pyrrole-3-carboxylate (CID 17408129) is methyl 2,4-dimethyl-5-[(5-methyl-2-pyridinyl)carbamoyl]-1H-pyrrole-3-carboxylate.
What is the SMILES notation for methyl 2,4-dimethyl-5-[(5-methyl-2-pyridinyl)carbamoyl]-1H-pyrrole-3-carboxylate?
The canonical SMILES for methyl 2,4-dimethyl-5-[(5-methyl-2-pyridinyl)carbamoyl]-1H-pyrrole-3-carboxylate is COC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(C)cn2)c1C.
What is the InChIKey of methyl 2,4-dimethyl-5-[(5-methyl-2-pyridinyl)carbamoyl]-1H-pyrrole-3-carboxylate?
The InChIKey is QRSKKKVXTQEJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-8-5-6-11(16-7-8)18-14(19)13-9(2)12(10(3)17-13)15(20)21-4/h5-7,17H,1-4H3,(H,16,18,19).
What are the key properties of methyl 2,4-dimethyl-5-[(5-methyl-2-pyridinyl)carbamoyl]-1H-pyrrole-3-carboxylate?
methyl 2,4-dimethyl-5-[(5-methyl-2-pyridinyl)carbamoyl]-1H-pyrrole-3-carboxylate has a molecular weight of 287.32 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,4-dimethyl-5-[(5-methyl-2-pyridinyl)carbamoyl]-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 17408129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).