1-cyclopropyl-N-[3-(ethylamino)propyl]-4-nitropyrrole-2-carboxamide

C13H20N4O3 — CID 43640525

IUPAC1-cyclopropyl-N-[3-(ethylamino)propyl]-4-nitropyrrole-2-carboxamide
SMILESCCNCCCNC(=O)c1cc([N+](=O)[O-])cn1C1CC1
InChIInChI=1S/C13H20N4O3/c1-2-14-6-3-7-15-13(18)12-8-11(17(19)20)9-16(12)10-4-5-10/h8-10,14H,2-7H2,1H3,(H,15,18)
InChIKeyINTWOVZZRVZXOY-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.46
Rot. Bonds8

About 1-cyclopropyl-N-[3-(ethylamino)propyl]-4-nitropyrrole-2-carboxamide

1-cyclopropyl-N-[3-(ethylamino)propyl]-4-nitropyrrole-2-carboxamide (PubChem CID 43640525) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-cyclopropyl-N-[3-(ethylamino)propyl]-4-nitropyrrole-2-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-[3-(ethylamino)propyl]-4-nitropyrrole-2-carboxamide
PubChem CID43640525
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name1-cyclopropyl-N-[3-(ethylamino)propyl]-4-nitropyrrole-2-carboxamide
SMILESCCNCCCNC(=O)c1cc([N+](=O)[O-])cn1C1CC1
InChIInChI=1S/C13H20N4O3/c1-2-14-6-3-7-15-13(18)12-8-11(17(19)20)9-16(12)10-4-5-10/h8-10,14H,2-7H2,1H3,(H,15,18)
InChIKeyINTWOVZZRVZXOY-UHFFFAOYSA-N
XLogP1.46
TPSA89.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(azetidin-3-yl)-1-cyclopropyl-4-nitropyrrole-2-carboxamide
CID 66185142
1-cyclopropyl-4-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide
CID 104971817
1-cyclopropyl-N-(2,3-dihydroxypropyl)-4-nitropyrrole-2-carboxamide
CID 66176627
1-cyclopropyl-N-[(2S)-1-hydroxybutan-2-yl]-4-nitropyrrole-2-carboxamide
CID 104981753
1-cyclopropyl-N-hex-1-yn-3-yl-4-nitropyrrole-2-carboxamide
CID 106228226
1-cyclopropyl-4-nitro-N-(1H-pyrrol-3-ylmethyl)pyrrole-2-carboxamide
CID 106385903
N-[3-(4-aminobutylamino)propyl]-1-methyl-4-nitropyrrole-2-carboxamide
CID 14487178
1-cyclopropyl-4-nitro-N-pent-4-yn-2-ylpyrrole-2-carboxamide
CID 113477563
1-cyclopropyl-4-nitro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrrole-2-carboxamide
CID 106282098
1-cyclopropyl-N-(4-methylpiperidin-4-yl)-4-nitropyrrole-2-carboxamide
CID 114696474
copper;1-methyl-N-[3-[4-[3-[[1-methyl-4-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]propylamino]butylamino]propyl]-4-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]pyrrole-2-carboxamide;chloride
CID 72714912
1-cyclopropyl-N-(6-fluoro-2-pyridinyl)-4-nitropyrrole-2-carboxamide
CID 104820938

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[3-(ethylamino)propyl]-4-nitropyrrole-2-carboxamide?
The IUPAC name of 1-cyclopropyl-N-[3-(ethylamino)propyl]-4-nitropyrrole-2-carboxamide (CID 43640525) is 1-cyclopropyl-N-[3-(ethylamino)propyl]-4-nitropyrrole-2-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-[3-(ethylamino)propyl]-4-nitropyrrole-2-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-[3-(ethylamino)propyl]-4-nitropyrrole-2-carboxamide is CCNCCCNC(=O)c1cc([N+](=O)[O-])cn1C1CC1.
What is the InChIKey of 1-cyclopropyl-N-[3-(ethylamino)propyl]-4-nitropyrrole-2-carboxamide?
The InChIKey is INTWOVZZRVZXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-2-14-6-3-7-15-13(18)12-8-11(17(19)20)9-16(12)10-4-5-10/h8-10,14H,2-7H2,1H3,(H,15,18).
What are the key properties of 1-cyclopropyl-N-[3-(ethylamino)propyl]-4-nitropyrrole-2-carboxamide?
1-cyclopropyl-N-[3-(ethylamino)propyl]-4-nitropyrrole-2-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 1.46, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[3-(ethylamino)propyl]-4-nitropyrrole-2-carboxamide is sourced from PubChem (CID 43640525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).