4-amino-1-methylpyrrole-2-carbaldehyde;ethane;N-(3-hydroxypropyl)-1-methyl-4-[4-(methylamino)phenyl]pyrrole-2-carboxamide

C24H35N5O3 — CID 145425067

IUPAC4-amino-1-methylpyrrole-2-carbaldehyde;ethane;N-(3-hydroxypropyl)-1-methyl-4-[4-(methylamino)phenyl]pyrrole-2-carboxamide
SMILESCC.CNc1ccc(-c2cc(C(=O)NCCCO)n(C)c2)cc1.Cn1cc(N)cc1C=O
InChIInChI=1S/C16H21N3O2.C6H8N2O.C2H6/c1-17-14-6-4-12(5-7-14)13-10-15(19(2)11-13)16(21)18-8-3-9-20;1-8-3-5(7)2-6(8)4-9;1-2/h4-7,10-11,17,20H,3,8-9H2,1-2H3,(H,18,21);2-4H,7H2,1H3;1-2H3
InChIKeyAKJBXAQUFVMVFY-UHFFFAOYSA-N
MW441.58 g/mol
LogP3.29
Rot. Bonds7

About 4-amino-1-methylpyrrole-2-carbaldehyde;ethane;N-(3-hydroxypropyl)-1-methyl-4-[4-(methylamino)phenyl]pyrrole-2-carboxamide

4-amino-1-methylpyrrole-2-carbaldehyde;ethane;N-(3-hydroxypropyl)-1-methyl-4-[4-(methylamino)phenyl]pyrrole-2-carboxamide (PubChem CID 145425067) has the molecular formula C24H35N5O3 and a molecular weight of 441.58 g/mol. Its IUPAC name is 4-amino-1-methylpyrrole-2-carbaldehyde;ethane;N-(3-hydroxypropyl)-1-methyl-4-[4-(methylamino)phenyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-1-methylpyrrole-2-carbaldehyde;ethane;N-(3-hydroxypropyl)-1-methyl-4-[4-(methylamino)phenyl]pyrrole-2-carboxamide
PubChem CID145425067
Molecular FormulaC24H35N5O3
Molecular Weight441.58 g/mol
Exact Mass441.27
IUPAC Name4-amino-1-methylpyrrole-2-carbaldehyde;ethane;N-(3-hydroxypropyl)-1-methyl-4-[4-(methylamino)phenyl]pyrrole-2-carboxamide
SMILESCC.CNc1ccc(-c2cc(C(=O)NCCCO)n(C)c2)cc1.Cn1cc(N)cc1C=O
InChIInChI=1S/C16H21N3O2.C6H8N2O.C2H6/c1-17-14-6-4-12(5-7-14)13-10-15(19(2)11-13)16(21)18-8-3-9-20;1-8-3-5(7)2-6(8)4-9;1-2/h4-7,10-11,17,20H,3,8-9H2,1-2H3,(H,18,21);2-4H,7H2,1H3;1-2H3
InChIKeyAKJBXAQUFVMVFY-UHFFFAOYSA-N
XLogP3.29
TPSA114.31 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.58
LogP ≤ 53.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-amino-1-methyl-N-octylpyrrole-2-carboxamide
CID 115565894
4-(4-aminophenyl)-N,1-dimethylpyrrole-2-carboxamide
CID 134449881
4-amino-N-(4-hydroxypentyl)-1-methylpyrrole-2-carboxamide
CID 106118881
methyl 4-[4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]phenyl]-1-methylpyrrole-2-carboxylate
CID 126639866
4-amino-1-methyl-N-(3-phenoxypropyl)pyrrole-2-carboxamide
CID 62379112
4-amino-N-(2-methoxyethyl)-1-methylpyrrole-2-carboxamide
CID 43641937
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
4-chloro-N-(4-hydroxybutyl)-1-methylpyrrole-2-carboxamide
CID 106843318
4-amino-1-methyl-N-(4-propan-2-yloxybutyl)pyrrole-2-carboxamide
CID 106006234
1-methyl-4-(methylamino)-N-propylpyrrole-2-carboxamide
CID 156823683
methyl 3-[(4-amino-1-methylpyrrole-2-carbonyl)amino]propanoate
CID 43665875
4-amino-N-[5-(2-aminoethylcarbamoyl)-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide
CID 69176970

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methylpyrrole-2-carbaldehyde;ethane;N-(3-hydroxypropyl)-1-methyl-4-[4-(methylamino)phenyl]pyrrole-2-carboxamide?
The IUPAC name of 4-amino-1-methylpyrrole-2-carbaldehyde;ethane;N-(3-hydroxypropyl)-1-methyl-4-[4-(methylamino)phenyl]pyrrole-2-carboxamide (CID 145425067) is 4-amino-1-methylpyrrole-2-carbaldehyde;ethane;N-(3-hydroxypropyl)-1-methyl-4-[4-(methylamino)phenyl]pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-1-methylpyrrole-2-carbaldehyde;ethane;N-(3-hydroxypropyl)-1-methyl-4-[4-(methylamino)phenyl]pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-1-methylpyrrole-2-carbaldehyde;ethane;N-(3-hydroxypropyl)-1-methyl-4-[4-(methylamino)phenyl]pyrrole-2-carboxamide is CC.CNc1ccc(-c2cc(C(=O)NCCCO)n(C)c2)cc1.Cn1cc(N)cc1C=O.
What is the InChIKey of 4-amino-1-methylpyrrole-2-carbaldehyde;ethane;N-(3-hydroxypropyl)-1-methyl-4-[4-(methylamino)phenyl]pyrrole-2-carboxamide?
The InChIKey is AKJBXAQUFVMVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2.C6H8N2O.C2H6/c1-17-14-6-4-12(5-7-14)13-10-15(19(2)11-13)16(21)18-8-3-9-20;1-8-3-5(7)2-6(8)4-9;1-2/h4-7,10-11,17,20H,3,8-9H2,1-2H3,(H,18,21);2-4H,7H2,1H3;1-2H3.
What are the key properties of 4-amino-1-methylpyrrole-2-carbaldehyde;ethane;N-(3-hydroxypropyl)-1-methyl-4-[4-(methylamino)phenyl]pyrrole-2-carboxamide?
4-amino-1-methylpyrrole-2-carbaldehyde;ethane;N-(3-hydroxypropyl)-1-methyl-4-[4-(methylamino)phenyl]pyrrole-2-carboxamide has a molecular weight of 441.58 g/mol, XLogP of 3.29, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methylpyrrole-2-carbaldehyde;ethane;N-(3-hydroxypropyl)-1-methyl-4-[4-(methylamino)phenyl]pyrrole-2-carboxamide is sourced from PubChem (CID 145425067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).