N-(1-cyclopropylpyrrolidin-3-yl)-5-hydroxy-2-nitrobenzamide

C14H17N3O4 — CID 102741670

IUPACN-(1-cyclopropylpyrrolidin-3-yl)-5-hydroxy-2-nitrobenzamide
SMILESO=C(NC1CCN(C2CC2)C1)c1cc(O)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H17N3O4/c18-11-3-4-13(17(20)21)12(7-11)14(19)15-9-5-6-16(8-9)10-1-2-10/h3-4,7,9-10,18H,1-2,5-6,8H2,(H,15,19)
InChIKeyMFBZSACQRIBOOS-UHFFFAOYSA-N
MW291.31 g/mol
LogP1.27
Rot. Bonds4

About N-(1-cyclopropylpyrrolidin-3-yl)-5-hydroxy-2-nitrobenzamide

N-(1-cyclopropylpyrrolidin-3-yl)-5-hydroxy-2-nitrobenzamide (PubChem CID 102741670) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is N-(1-cyclopropylpyrrolidin-3-yl)-5-hydroxy-2-nitrobenzamide.

Molecular Properties

Compound NameN-(1-cyclopropylpyrrolidin-3-yl)-5-hydroxy-2-nitrobenzamide
PubChem CID102741670
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC NameN-(1-cyclopropylpyrrolidin-3-yl)-5-hydroxy-2-nitrobenzamide
SMILESO=C(NC1CCN(C2CC2)C1)c1cc(O)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H17N3O4/c18-11-3-4-13(17(20)21)12(7-11)14(19)15-9-5-6-16(8-9)10-1-2-10/h3-4,7,9-10,18H,1-2,5-6,8H2,(H,15,19)
InChIKeyMFBZSACQRIBOOS-UHFFFAOYSA-N
XLogP1.27
TPSA95.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 51.27
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

5-hydroxy-N-(1-methylpiperidin-3-yl)-2-nitrobenzamide
CID 102741361
2-chloro-N-(1-cyclopropylpyrrolidin-3-yl)-5-nitropyridine-4-carboxamide
CID 103733257
5-hydroxy-2-nitro-N-(oxan-3-yl)benzamide
CID 102741811
N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-(2-nitrophenyl)acetamide
CID 94795717
5-amino-N-(1-methylpiperidin-3-yl)-2-nitrobenzamide
CID 62160146
5-hydroxy-N-(2-methylcycloheptyl)-2-nitrobenzamide
CID 107076139
5-hydroxy-2-nitro-N-piperidin-1-ylbenzamide
CID 107076391
2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-4-fluorobenzamide
CID 63110384
5-amino-N-(4-methylcyclohexyl)-2-nitrobenzamide
CID 62156540
N-(1-cyclopropylpyrrolidin-3-yl)-2,3-difluorobenzamide
CID 62661461
4-(cyclopropylamino)-N-(1-cyclopropylpiperidin-4-yl)-3-nitrobenzamide
CID 26131147
N-cyclopentyl-5-methyl-2-nitrobenzamide
CID 65462834

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpyrrolidin-3-yl)-5-hydroxy-2-nitrobenzamide?
The IUPAC name of N-(1-cyclopropylpyrrolidin-3-yl)-5-hydroxy-2-nitrobenzamide (CID 102741670) is N-(1-cyclopropylpyrrolidin-3-yl)-5-hydroxy-2-nitrobenzamide.
What is the SMILES notation for N-(1-cyclopropylpyrrolidin-3-yl)-5-hydroxy-2-nitrobenzamide?
The canonical SMILES for N-(1-cyclopropylpyrrolidin-3-yl)-5-hydroxy-2-nitrobenzamide is O=C(NC1CCN(C2CC2)C1)c1cc(O)ccc1[N+](=O)[O-].
What is the InChIKey of N-(1-cyclopropylpyrrolidin-3-yl)-5-hydroxy-2-nitrobenzamide?
The InChIKey is MFBZSACQRIBOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c18-11-3-4-13(17(20)21)12(7-11)14(19)15-9-5-6-16(8-9)10-1-2-10/h3-4,7,9-10,18H,1-2,5-6,8H2,(H,15,19).
What are the key properties of N-(1-cyclopropylpyrrolidin-3-yl)-5-hydroxy-2-nitrobenzamide?
N-(1-cyclopropylpyrrolidin-3-yl)-5-hydroxy-2-nitrobenzamide has a molecular weight of 291.31 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpyrrolidin-3-yl)-5-hydroxy-2-nitrobenzamide is sourced from PubChem (CID 102741670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).