3-(2-methyl-4-nitroimidazol-1-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride

C14H24ClN5O3 — CID 119530440

IUPAC3-(2-methyl-4-nitroimidazol-1-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
SMILESCCCN(C(=O)CCn1cc([N+](=O)[O-])nc1C)C1CCNC1.Cl
InChIInChI=1S/C14H23N5O3.ClH/c1-3-7-18(12-4-6-15-9-12)14(20)5-8-17-10-13(19(21)22)16-11(17)2;/h10,12,15H,3-9H2,1-2H3;1H
InChIKeyAQCYTHNGBASFFT-UHFFFAOYSA-N
MW345.83 g/mol
LogP1.51
Rot. Bonds7

About 3-(2-methyl-4-nitroimidazol-1-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride

3-(2-methyl-4-nitroimidazol-1-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride (PubChem CID 119530440) has the molecular formula C14H24ClN5O3 and a molecular weight of 345.83 g/mol. Its IUPAC name is 3-(2-methyl-4-nitroimidazol-1-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-(2-methyl-4-nitroimidazol-1-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
PubChem CID119530440
Molecular FormulaC14H24ClN5O3
Molecular Weight345.83 g/mol
Exact Mass345.16
IUPAC Name3-(2-methyl-4-nitroimidazol-1-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
SMILESCCCN(C(=O)CCn1cc([N+](=O)[O-])nc1C)C1CCNC1.Cl
InChIInChI=1S/C14H23N5O3.ClH/c1-3-7-18(12-4-6-15-9-12)14(20)5-8-17-10-13(19(21)22)16-11(17)2;/h10,12,15H,3-9H2,1-2H3;1H
InChIKeyAQCYTHNGBASFFT-UHFFFAOYSA-N
XLogP1.51
TPSA93.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

3-(2-methyl-4-nitroimidazol-1-yl)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119823671
3-(4-nitropyrazol-1-yl)-N-piperidin-4-yl-N-propylpropanamide
CID 119824565
3-imidazol-1-yl-N-propyl-N-pyrrolidin-3-ylpropanamide;dihydrochloride
CID 119530274
2-(5-nitro-2-oxo-1-pyridinyl)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119532645
3-(1-methylpyrazol-4-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide;dihydrochloride
CID 119532209
3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-piperidin-4-yl-N-propylpropanamide
CID 119826337
N-propyl-N-pyrrolidin-3-yl-3-(1,2,4-triazol-1-yl)propanamide
CID 60806180
3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119532930
4-(4-nitroanilino)-N-propyl-N-pyrrolidin-3-ylbutanamide
CID 119532084
3-imidazol-1-yl-N-piperidin-4-yl-N-propylpropanamide;dihydrochloride
CID 119823501
3-chloro-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 82177257
1-(4-methylphenyl)-N-propyl-N-pyrrolidin-3-yltriazole-4-carboxamide;hydrochloride
CID 119530408

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-4-nitroimidazol-1-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride?
The IUPAC name of 3-(2-methyl-4-nitroimidazol-1-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride (CID 119530440) is 3-(2-methyl-4-nitroimidazol-1-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride.
What is the SMILES notation for 3-(2-methyl-4-nitroimidazol-1-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride?
The canonical SMILES for 3-(2-methyl-4-nitroimidazol-1-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride is CCCN(C(=O)CCn1cc([N+](=O)[O-])nc1C)C1CCNC1.Cl.
What is the InChIKey of 3-(2-methyl-4-nitroimidazol-1-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride?
The InChIKey is AQCYTHNGBASFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O3.ClH/c1-3-7-18(12-4-6-15-9-12)14(20)5-8-17-10-13(19(21)22)16-11(17)2;/h10,12,15H,3-9H2,1-2H3;1H.
What are the key properties of 3-(2-methyl-4-nitroimidazol-1-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride?
3-(2-methyl-4-nitroimidazol-1-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride has a molecular weight of 345.83 g/mol, XLogP of 1.51, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-4-nitroimidazol-1-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride is sourced from PubChem (CID 119530440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).