1-cyclopropyl-N-(4-methylpiperidin-4-yl)-4-nitropyrrole-2-carboxamide

C14H20N4O3 — CID 114696474

IUPAC1-cyclopropyl-N-(4-methylpiperidin-4-yl)-4-nitropyrrole-2-carboxamide
SMILESCC1(NC(=O)c2cc([N+](=O)[O-])cn2C2CC2)CCNCC1
InChIInChI=1S/C14H20N4O3/c1-14(4-6-15-7-5-14)16-13(19)12-8-11(18(20)21)9-17(12)10-2-3-10/h8-10,15H,2-7H2,1H3,(H,16,19)
InChIKeyJDIURGVQNONLCJ-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.60
Rot. Bonds4

About 1-cyclopropyl-N-(4-methylpiperidin-4-yl)-4-nitropyrrole-2-carboxamide

1-cyclopropyl-N-(4-methylpiperidin-4-yl)-4-nitropyrrole-2-carboxamide (PubChem CID 114696474) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 1-cyclopropyl-N-(4-methylpiperidin-4-yl)-4-nitropyrrole-2-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-(4-methylpiperidin-4-yl)-4-nitropyrrole-2-carboxamide
PubChem CID114696474
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name1-cyclopropyl-N-(4-methylpiperidin-4-yl)-4-nitropyrrole-2-carboxamide
SMILESCC1(NC(=O)c2cc([N+](=O)[O-])cn2C2CC2)CCNCC1
InChIInChI=1S/C14H20N4O3/c1-14(4-6-15-7-5-14)16-13(19)12-8-11(18(20)21)9-17(12)10-2-3-10/h8-10,15H,2-7H2,1H3,(H,16,19)
InChIKeyJDIURGVQNONLCJ-UHFFFAOYSA-N
XLogP1.60
TPSA89.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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
N-(3-methylpyrrolidin-3-yl)-4-nitro-1-propan-2-ylpyrrole-2-carboxamide
CID 107422852
1-cyclopropyl-N-[(2S)-1-hydroxybutan-2-yl]-4-nitropyrrole-2-carboxamide
CID 104981753
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
3-fluoro-N-(4-methylpiperidin-4-yl)-5-nitrobenzamide
CID 114696332
1-cyclopropyl-N-[3-(ethylamino)propyl]-4-nitropyrrole-2-carboxamide
CID 43640525
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-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
2-[(1-cyclopropyl-4-nitropyrrole-2-carbonyl)-methylamino]propanoic acid
CID 62626748

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(4-methylpiperidin-4-yl)-4-nitropyrrole-2-carboxamide?
The IUPAC name of 1-cyclopropyl-N-(4-methylpiperidin-4-yl)-4-nitropyrrole-2-carboxamide (CID 114696474) is 1-cyclopropyl-N-(4-methylpiperidin-4-yl)-4-nitropyrrole-2-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-(4-methylpiperidin-4-yl)-4-nitropyrrole-2-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-(4-methylpiperidin-4-yl)-4-nitropyrrole-2-carboxamide is CC1(NC(=O)c2cc([N+](=O)[O-])cn2C2CC2)CCNCC1.
What is the InChIKey of 1-cyclopropyl-N-(4-methylpiperidin-4-yl)-4-nitropyrrole-2-carboxamide?
The InChIKey is JDIURGVQNONLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-14(4-6-15-7-5-14)16-13(19)12-8-11(18(20)21)9-17(12)10-2-3-10/h8-10,15H,2-7H2,1H3,(H,16,19).
What are the key properties of 1-cyclopropyl-N-(4-methylpiperidin-4-yl)-4-nitropyrrole-2-carboxamide?
1-cyclopropyl-N-(4-methylpiperidin-4-yl)-4-nitropyrrole-2-carboxamide has a molecular weight of 292.34 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(4-methylpiperidin-4-yl)-4-nitropyrrole-2-carboxamide is sourced from PubChem (CID 114696474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).