4-(1-methylpyrrol-2-yl)-N-[(1-methylpyrrol-2-yl)methyl]-2-oxobutanamide

C15H19N3O2 — CID 148872611

IUPAC4-(1-methylpyrrol-2-yl)-N-[(1-methylpyrrol-2-yl)methyl]-2-oxobutanamide
SMILESCn1cccc1CCC(=O)C(=O)NCc1cccn1C
InChIInChI=1S/C15H19N3O2/c1-17-9-3-5-12(17)7-8-14(19)15(20)16-11-13-6-4-10-18(13)2/h3-6,9-10H,7-8,11H2,1-2H3,(H,16,20)
InChIKeyPBMDEYZWKCUVRN-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.18
Rot. Bonds6

About 4-(1-methylpyrrol-2-yl)-N-[(1-methylpyrrol-2-yl)methyl]-2-oxobutanamide

4-(1-methylpyrrol-2-yl)-N-[(1-methylpyrrol-2-yl)methyl]-2-oxobutanamide (PubChem CID 148872611) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-(1-methylpyrrol-2-yl)-N-[(1-methylpyrrol-2-yl)methyl]-2-oxobutanamide.

Molecular Properties

Compound Name4-(1-methylpyrrol-2-yl)-N-[(1-methylpyrrol-2-yl)methyl]-2-oxobutanamide
PubChem CID148872611
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name4-(1-methylpyrrol-2-yl)-N-[(1-methylpyrrol-2-yl)methyl]-2-oxobutanamide
SMILESCn1cccc1CCC(=O)C(=O)NCc1cccn1C
InChIInChI=1S/C15H19N3O2/c1-17-9-3-5-12(17)7-8-14(19)15(20)16-11-13-6-4-10-18(13)2/h3-6,9-10H,7-8,11H2,1-2H3,(H,16,20)
InChIKeyPBMDEYZWKCUVRN-UHFFFAOYSA-N
XLogP1.18
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

methyl N-[(1-methylpyrrol-2-yl)methyl]carbamate
CID 103713450
2-[2-[(1-methylpyrrol-2-yl)methylamino]-2-oxoethoxy]acetic acid
CID 106414745
4-hydroxy-N-[(1-methylpyrrol-2-yl)methyl]butanamide
CID 106423340
N-(2-acetamidoethyl)-3-(1-methylpyrrol-2-yl)propanamide
CID 110700711
1-methoxy-3-[(1-methylpyrrol-2-yl)methyl]urea
CID 130718702
2-(ethylamino)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 106416598
1-amino-N-[(1-methylpyrrol-2-yl)methyl]cyclobutane-1-carboxamide
CID 106416698
N-butyl-3-(1-methylpyrrol-2-yl)propanamide
CID 110700635
2-hydroxy-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 103713795
2-methyl-2-(methylamino)-N-[(1-methylpyrrol-2-yl)methyl]propanamide
CID 106416600
2-methyl-3-[(1-methylpyrrol-2-yl)methylamino]-3-oxopropanoic acid
CID 106423129
4-fluoro-2-iodo-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 103713400

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpyrrol-2-yl)-N-[(1-methylpyrrol-2-yl)methyl]-2-oxobutanamide?
The IUPAC name of 4-(1-methylpyrrol-2-yl)-N-[(1-methylpyrrol-2-yl)methyl]-2-oxobutanamide (CID 148872611) is 4-(1-methylpyrrol-2-yl)-N-[(1-methylpyrrol-2-yl)methyl]-2-oxobutanamide.
What is the SMILES notation for 4-(1-methylpyrrol-2-yl)-N-[(1-methylpyrrol-2-yl)methyl]-2-oxobutanamide?
The canonical SMILES for 4-(1-methylpyrrol-2-yl)-N-[(1-methylpyrrol-2-yl)methyl]-2-oxobutanamide is Cn1cccc1CCC(=O)C(=O)NCc1cccn1C.
What is the InChIKey of 4-(1-methylpyrrol-2-yl)-N-[(1-methylpyrrol-2-yl)methyl]-2-oxobutanamide?
The InChIKey is PBMDEYZWKCUVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-17-9-3-5-12(17)7-8-14(19)15(20)16-11-13-6-4-10-18(13)2/h3-6,9-10H,7-8,11H2,1-2H3,(H,16,20).
What are the key properties of 4-(1-methylpyrrol-2-yl)-N-[(1-methylpyrrol-2-yl)methyl]-2-oxobutanamide?
4-(1-methylpyrrol-2-yl)-N-[(1-methylpyrrol-2-yl)methyl]-2-oxobutanamide has a molecular weight of 273.34 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpyrrol-2-yl)-N-[(1-methylpyrrol-2-yl)methyl]-2-oxobutanamide is sourced from PubChem (CID 148872611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).