N-(5-formyl-1-methylpyrrol-3-yl)-1,5-dimethylpyrrole-2-carboxamide

C13H15N3O2 — CID 143099078

IUPACN-(5-formyl-1-methylpyrrol-3-yl)-1,5-dimethylpyrrole-2-carboxamide
SMILESCc1ccc(C(=O)Nc2cc(C=O)n(C)c2)n1C
InChIInChI=1S/C13H15N3O2/c1-9-4-5-12(16(9)3)13(18)14-10-6-11(8-17)15(2)7-10/h4-8H,1-3H3,(H,14,18)
InChIKeyAODPFQXLTRSRLL-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.74
Rot. Bonds3

About N-(5-formyl-1-methylpyrrol-3-yl)-1,5-dimethylpyrrole-2-carboxamide

N-(5-formyl-1-methylpyrrol-3-yl)-1,5-dimethylpyrrole-2-carboxamide (PubChem CID 143099078) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-(5-formyl-1-methylpyrrol-3-yl)-1,5-dimethylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(5-formyl-1-methylpyrrol-3-yl)-1,5-dimethylpyrrole-2-carboxamide
PubChem CID143099078
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN-(5-formyl-1-methylpyrrol-3-yl)-1,5-dimethylpyrrole-2-carboxamide
SMILESCc1ccc(C(=O)Nc2cc(C=O)n(C)c2)n1C
InChIInChI=1S/C13H15N3O2/c1-9-4-5-12(16(9)3)13(18)14-10-6-11(8-17)15(2)7-10/h4-8H,1-3H3,(H,14,18)
InChIKeyAODPFQXLTRSRLL-UHFFFAOYSA-N
XLogP1.74
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-N-(1,5-dimethylpyrrol-3-yl)-2-N-(5-formyl-1-methylpyrrol-3-yl)-1-methylpyrrole-2,5-dicarboxamide
CID 143099090
ethane;N-[5-[(5-formyl-1-methylpyrrol-3-yl)carbamoyl]-1-methylpyrrol-3-yl]-1-methyl-4-(methylamino)pyrrole-2-carboxamide;methanol;1-methylpyrrole-2-carbaldehyde
CID 143423616
5-[(1,5-dimethylpyrrole-2-carbonyl)amino]-2-fluorobenzoic acid
CID 60750145
2-[4-[(1,5-dimethylpyrrole-2-carbonyl)amino]phenyl]acetic acid
CID 28790887
3-amino-N-(5-formyl-1-methylpyrrol-3-yl)-5-methyl-2H-1,4-thiazine-6-carboxamide
CID 143802182
1,5-dimethyl-N-[3-(propan-2-ylcarbamoylamino)phenyl]pyrrole-2-carboxamide
CID 31888506
2-[(1,5-dimethylpyrrole-2-carbonyl)amino]-5-fluorobenzoic acid
CID 28791303
N-(2-hydroxy-4-methylphenyl)-1,5-dimethylpyrrole-2-carboxamide
CID 60698818
1,5-dimethylpyrrole-2-carbohydrazide;hydrochloride
CID 130653632
1,5-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)pyrrole-2-carboxamide
CID 60518966
4-[[4-(carboxyamino)-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylic acid
CID 71195870
3,5-dichloro-4-[(1,5-dimethylpyrrole-2-carbonyl)amino]benzoic acid
CID 82810639

Frequently Asked Questions

What is the IUPAC name of N-(5-formyl-1-methylpyrrol-3-yl)-1,5-dimethylpyrrole-2-carboxamide?
The IUPAC name of N-(5-formyl-1-methylpyrrol-3-yl)-1,5-dimethylpyrrole-2-carboxamide (CID 143099078) is N-(5-formyl-1-methylpyrrol-3-yl)-1,5-dimethylpyrrole-2-carboxamide.
What is the SMILES notation for N-(5-formyl-1-methylpyrrol-3-yl)-1,5-dimethylpyrrole-2-carboxamide?
The canonical SMILES for N-(5-formyl-1-methylpyrrol-3-yl)-1,5-dimethylpyrrole-2-carboxamide is Cc1ccc(C(=O)Nc2cc(C=O)n(C)c2)n1C.
What is the InChIKey of N-(5-formyl-1-methylpyrrol-3-yl)-1,5-dimethylpyrrole-2-carboxamide?
The InChIKey is AODPFQXLTRSRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-9-4-5-12(16(9)3)13(18)14-10-6-11(8-17)15(2)7-10/h4-8H,1-3H3,(H,14,18).
What are the key properties of N-(5-formyl-1-methylpyrrol-3-yl)-1,5-dimethylpyrrole-2-carboxamide?
N-(5-formyl-1-methylpyrrol-3-yl)-1,5-dimethylpyrrole-2-carboxamide has a molecular weight of 245.28 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-formyl-1-methylpyrrol-3-yl)-1,5-dimethylpyrrole-2-carboxamide is sourced from PubChem (CID 143099078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).