4-acetyl-5-methyl-N-[3-(methylamino)propyl]-3-propyl-1H-pyrrole-2-carboxamide

C15H25N3O2 — CID 119432269

IUPAC4-acetyl-5-methyl-N-[3-(methylamino)propyl]-3-propyl-1H-pyrrole-2-carboxamide
SMILESCCCc1c(C(=O)NCCCNC)[nH]c(C)c1C(C)=O
InChIInChI=1S/C15H25N3O2/c1-5-7-12-13(11(3)19)10(2)18-14(12)15(20)17-9-6-8-16-4/h16,18H,5-9H2,1-4H3,(H,17,20)
InChIKeyPBAXEEHETNCUAP-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.82
Rot. Bonds8

About 4-acetyl-5-methyl-N-[3-(methylamino)propyl]-3-propyl-1H-pyrrole-2-carboxamide

4-acetyl-5-methyl-N-[3-(methylamino)propyl]-3-propyl-1H-pyrrole-2-carboxamide (PubChem CID 119432269) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 4-acetyl-5-methyl-N-[3-(methylamino)propyl]-3-propyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-5-methyl-N-[3-(methylamino)propyl]-3-propyl-1H-pyrrole-2-carboxamide
PubChem CID119432269
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name4-acetyl-5-methyl-N-[3-(methylamino)propyl]-3-propyl-1H-pyrrole-2-carboxamide
SMILESCCCc1c(C(=O)NCCCNC)[nH]c(C)c1C(C)=O
InChIInChI=1S/C15H25N3O2/c1-5-7-12-13(11(3)19)10(2)18-14(12)15(20)17-9-6-8-16-4/h16,18H,5-9H2,1-4H3,(H,17,20)
InChIKeyPBAXEEHETNCUAP-UHFFFAOYSA-N
XLogP1.82
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[(4-acetyl-5-methyl-3-propyl-1H-pyrrole-2-carbonyl)amino]hexanoic acid
CID 119220023
4-acetyl-5-methyl-N-[2-(methylamino)propyl]-3-propyl-1H-pyrrole-2-carboxamide
CID 120829396
4-acetyl-5-methyl-N-[3-(3-methylphenoxy)propyl]-3-propyl-1H-pyrrole-2-carboxamide
CID 55822054
3-[(4-acetyl-5-methyl-3-propyl-1H-pyrrole-2-carbonyl)amino]-2-methylpropanoic acid
CID 119237217
4-acetyl-5-methyl-N-piperidin-4-yl-3-propyl-1H-pyrrole-2-carboxamide
CID 119388518
4-acetyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methyl-3-propyl-1H-pyrrole-2-carboxamide
CID 120946611
methyl 5-(4-hydroxyhexylcarbamoyl)-2-methyl-4-propyl-1H-pyrrole-3-carboxylate
CID 71863554
4-acetyl-N-[(2S)-1-aminopropan-2-yl]-5-methyl-3-propyl-1H-pyrrole-2-carboxamide
CID 120508905
4-acetyl-N-(2-amino-2-phenylethyl)-5-methyl-3-propyl-1H-pyrrole-2-carboxamide
CID 119528709
4-[(4-acetyl-5-methyl-3-propyl-1H-pyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119229808
3-[(4-acetyl-5-methyl-3-propyl-1H-pyrrole-2-carbonyl)-methylamino]propanoic acid
CID 119232908
4-acetyl-N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methyl-3-propyl-1H-pyrrole-2-carboxamide
CID 47265588

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-5-methyl-N-[3-(methylamino)propyl]-3-propyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-5-methyl-N-[3-(methylamino)propyl]-3-propyl-1H-pyrrole-2-carboxamide (CID 119432269) is 4-acetyl-5-methyl-N-[3-(methylamino)propyl]-3-propyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-5-methyl-N-[3-(methylamino)propyl]-3-propyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-5-methyl-N-[3-(methylamino)propyl]-3-propyl-1H-pyrrole-2-carboxamide is CCCc1c(C(=O)NCCCNC)[nH]c(C)c1C(C)=O.
What is the InChIKey of 4-acetyl-5-methyl-N-[3-(methylamino)propyl]-3-propyl-1H-pyrrole-2-carboxamide?
The InChIKey is PBAXEEHETNCUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-5-7-12-13(11(3)19)10(2)18-14(12)15(20)17-9-6-8-16-4/h16,18H,5-9H2,1-4H3,(H,17,20).
What are the key properties of 4-acetyl-5-methyl-N-[3-(methylamino)propyl]-3-propyl-1H-pyrrole-2-carboxamide?
4-acetyl-5-methyl-N-[3-(methylamino)propyl]-3-propyl-1H-pyrrole-2-carboxamide has a molecular weight of 279.38 g/mol, XLogP of 1.82, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-5-methyl-N-[3-(methylamino)propyl]-3-propyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 119432269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).