propan-2-yl 2,4-dimethyl-5-[methyl(1-pyridin-4-ylethyl)carbamoyl]-1H-pyrrole-3-carboxylate

C19H25N3O3 — CID 60571192

IUPACpropan-2-yl 2,4-dimethyl-5-[methyl(1-pyridin-4-ylethyl)carbamoyl]-1H-pyrrole-3-carboxylate
SMILESCc1[nH]c(C(=O)N(C)C(C)c2ccncc2)c(C)c1C(=O)OC(C)C
InChIInChI=1S/C19H25N3O3/c1-11(2)25-19(24)16-12(3)17(21-13(16)4)18(23)22(6)14(5)15-7-9-20-10-8-15/h7-11,14,21H,1-6H3
InChIKeyWDDHVULWQFJLAW-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.42
Rot. Bonds5

About propan-2-yl 2,4-dimethyl-5-[methyl(1-pyridin-4-ylethyl)carbamoyl]-1H-pyrrole-3-carboxylate

propan-2-yl 2,4-dimethyl-5-[methyl(1-pyridin-4-ylethyl)carbamoyl]-1H-pyrrole-3-carboxylate (PubChem CID 60571192) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is propan-2-yl 2,4-dimethyl-5-[methyl(1-pyridin-4-ylethyl)carbamoyl]-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2,4-dimethyl-5-[methyl(1-pyridin-4-ylethyl)carbamoyl]-1H-pyrrole-3-carboxylate
PubChem CID60571192
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Namepropan-2-yl 2,4-dimethyl-5-[methyl(1-pyridin-4-ylethyl)carbamoyl]-1H-pyrrole-3-carboxylate
SMILESCc1[nH]c(C(=O)N(C)C(C)c2ccncc2)c(C)c1C(=O)OC(C)C
InChIInChI=1S/C19H25N3O3/c1-11(2)25-19(24)16-12(3)17(21-13(16)4)18(23)22(6)14(5)15-7-9-20-10-8-15/h7-11,14,21H,1-6H3
InChIKeyWDDHVULWQFJLAW-UHFFFAOYSA-N
XLogP3.42
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-[1-(4-methoxyphenyl)ethyl-methylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 55560304
methyl 5-[1-(3,4-difluorophenyl)ethyl-methylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 46513083
propan-2-yl 5-[ethyl(thiophen-2-ylmethyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 32582552
propan-2-yl 5-[2-[cyclohexyl(methyl)amino]ethyl-methylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 60579748
propan-2-yl 5-[(3-methoxyphenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 27167428
propan-2-yl 5-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 33082183
propan-2-yl 5-(2-acetamidoethylcarbamoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 30597236
propan-2-yl 5-(2-methoxyethylcarbamoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 17393738
2-O-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-O-propan-2-yl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 8508665
propan-2-yl 5-[[4-(diethylaminomethyl)phenyl]methylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 26958702
propan-2-yl 5-[(2-anilino-2-oxoethyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 55835250
propan-2-yl 2,4-dimethyl-5-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]-1H-pyrrole-3-carboxylate
CID 17436226

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2,4-dimethyl-5-[methyl(1-pyridin-4-ylethyl)carbamoyl]-1H-pyrrole-3-carboxylate?
The IUPAC name of propan-2-yl 2,4-dimethyl-5-[methyl(1-pyridin-4-ylethyl)carbamoyl]-1H-pyrrole-3-carboxylate (CID 60571192) is propan-2-yl 2,4-dimethyl-5-[methyl(1-pyridin-4-ylethyl)carbamoyl]-1H-pyrrole-3-carboxylate.
What is the SMILES notation for propan-2-yl 2,4-dimethyl-5-[methyl(1-pyridin-4-ylethyl)carbamoyl]-1H-pyrrole-3-carboxylate?
The canonical SMILES for propan-2-yl 2,4-dimethyl-5-[methyl(1-pyridin-4-ylethyl)carbamoyl]-1H-pyrrole-3-carboxylate is Cc1[nH]c(C(=O)N(C)C(C)c2ccncc2)c(C)c1C(=O)OC(C)C.
What is the InChIKey of propan-2-yl 2,4-dimethyl-5-[methyl(1-pyridin-4-ylethyl)carbamoyl]-1H-pyrrole-3-carboxylate?
The InChIKey is WDDHVULWQFJLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-11(2)25-19(24)16-12(3)17(21-13(16)4)18(23)22(6)14(5)15-7-9-20-10-8-15/h7-11,14,21H,1-6H3.
What are the key properties of propan-2-yl 2,4-dimethyl-5-[methyl(1-pyridin-4-ylethyl)carbamoyl]-1H-pyrrole-3-carboxylate?
propan-2-yl 2,4-dimethyl-5-[methyl(1-pyridin-4-ylethyl)carbamoyl]-1H-pyrrole-3-carboxylate has a molecular weight of 343.43 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2,4-dimethyl-5-[methyl(1-pyridin-4-ylethyl)carbamoyl]-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 60571192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).