5-N-(1,5-dimethylpyrrol-3-yl)-2-N-(5-formyl-1-methylpyrrol-3-yl)-1-methylpyrrole-2,5-dicarboxamide

C19H21N5O3 — CID 143099090

IUPAC5-N-(1,5-dimethylpyrrol-3-yl)-2-N-(5-formyl-1-methylpyrrol-3-yl)-1-methylpyrrole-2,5-dicarboxamide
SMILESCc1cc(NC(=O)c2ccc(C(=O)Nc3cc(C=O)n(C)c3)n2C)cn1C
InChIInChI=1S/C19H21N5O3/c1-12-7-13(9-22(12)2)20-18(26)16-5-6-17(24(16)4)19(27)21-14-8-15(11-25)23(3)10-14/h5-11H,1-4H3,(H,20,26)(H,21,27)
InChIKeyMLPUUZCERZVWRN-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.33
Rot. Bonds5

About 5-N-(1,5-dimethylpyrrol-3-yl)-2-N-(5-formyl-1-methylpyrrol-3-yl)-1-methylpyrrole-2,5-dicarboxamide

5-N-(1,5-dimethylpyrrol-3-yl)-2-N-(5-formyl-1-methylpyrrol-3-yl)-1-methylpyrrole-2,5-dicarboxamide (PubChem CID 143099090) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is 5-N-(1,5-dimethylpyrrol-3-yl)-2-N-(5-formyl-1-methylpyrrol-3-yl)-1-methylpyrrole-2,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(1,5-dimethylpyrrol-3-yl)-2-N-(5-formyl-1-methylpyrrol-3-yl)-1-methylpyrrole-2,5-dicarboxamide
PubChem CID143099090
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name5-N-(1,5-dimethylpyrrol-3-yl)-2-N-(5-formyl-1-methylpyrrol-3-yl)-1-methylpyrrole-2,5-dicarboxamide
SMILESCc1cc(NC(=O)c2ccc(C(=O)Nc3cc(C=O)n(C)c3)n2C)cn1C
InChIInChI=1S/C19H21N5O3/c1-12-7-13(9-22(12)2)20-18(26)16-5-6-17(24(16)4)19(27)21-14-8-15(11-25)23(3)10-14/h5-11H,1-4H3,(H,20,26)(H,21,27)
InChIKeyMLPUUZCERZVWRN-UHFFFAOYSA-N
XLogP2.33
TPSA90.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(5-formyl-1-methylpyrrol-3-yl)-1,5-dimethylpyrrole-2-carboxamide
CID 143099078
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
3-amino-N-(5-formyl-1-methylpyrrol-3-yl)-5-methyl-2H-1,4-thiazine-6-carboxamide
CID 143802182
N-(1,5-dimethylpyrrol-3-yl)-4-methyl-4-(methyldisulfanyl)pentanamide;N-(5-formyl-1-methylpyrrol-3-yl)formamide;methanol
CID 142617315
benzyl 1-methyl-4-[[1-methyl-5-[(1-methyl-5-phenylmethoxycarbonylpyrrol-3-yl)carbamoyl]pyrrole-2-carbonyl]amino]pyrrole-2-carboxylate
CID 58945282
4-[[4-(carboxyamino)-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylic acid
CID 71195870
4-acetamido-1-methyl-N-[1-methyl-5-[[1-methyl-5-[[1-methyl-5-(methylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]pyrrole-2-carboxamide
CID 162488190
5-[(1,5-dimethylpyrrole-2-carbonyl)amino]-2-fluorobenzoic acid
CID 60750145
N-(5-acetyl-1-methylpyrrol-3-yl)-1-methyl-4-(phosphanylamino)pyrrole-2-carboxamide
CID 23394637
[1-methyl-5-[[4-[1-methyl-5-(phenylcarbamoyl)pyrrol-3-yl]phenyl]carbamoyl]pyrrol-3-yl]carbamic acid
CID 135351177
2-[4-[(1,5-dimethylpyrrole-2-carbonyl)amino]phenyl]acetic acid
CID 28790887
1,5-dimethyl-N-[3-(propan-2-ylcarbamoylamino)phenyl]pyrrole-2-carboxamide
CID 31888506

Frequently Asked Questions

What is the IUPAC name of 5-N-(1,5-dimethylpyrrol-3-yl)-2-N-(5-formyl-1-methylpyrrol-3-yl)-1-methylpyrrole-2,5-dicarboxamide?
The IUPAC name of 5-N-(1,5-dimethylpyrrol-3-yl)-2-N-(5-formyl-1-methylpyrrol-3-yl)-1-methylpyrrole-2,5-dicarboxamide (CID 143099090) is 5-N-(1,5-dimethylpyrrol-3-yl)-2-N-(5-formyl-1-methylpyrrol-3-yl)-1-methylpyrrole-2,5-dicarboxamide.
What is the SMILES notation for 5-N-(1,5-dimethylpyrrol-3-yl)-2-N-(5-formyl-1-methylpyrrol-3-yl)-1-methylpyrrole-2,5-dicarboxamide?
The canonical SMILES for 5-N-(1,5-dimethylpyrrol-3-yl)-2-N-(5-formyl-1-methylpyrrol-3-yl)-1-methylpyrrole-2,5-dicarboxamide is Cc1cc(NC(=O)c2ccc(C(=O)Nc3cc(C=O)n(C)c3)n2C)cn1C.
What is the InChIKey of 5-N-(1,5-dimethylpyrrol-3-yl)-2-N-(5-formyl-1-methylpyrrol-3-yl)-1-methylpyrrole-2,5-dicarboxamide?
The InChIKey is MLPUUZCERZVWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-12-7-13(9-22(12)2)20-18(26)16-5-6-17(24(16)4)19(27)21-14-8-15(11-25)23(3)10-14/h5-11H,1-4H3,(H,20,26)(H,21,27).
What are the key properties of 5-N-(1,5-dimethylpyrrol-3-yl)-2-N-(5-formyl-1-methylpyrrol-3-yl)-1-methylpyrrole-2,5-dicarboxamide?
5-N-(1,5-dimethylpyrrol-3-yl)-2-N-(5-formyl-1-methylpyrrol-3-yl)-1-methylpyrrole-2,5-dicarboxamide has a molecular weight of 367.41 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(1,5-dimethylpyrrol-3-yl)-2-N-(5-formyl-1-methylpyrrol-3-yl)-1-methylpyrrole-2,5-dicarboxamide is sourced from PubChem (CID 143099090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).