2-[(2S,3S)-2-amino-3-methylpentanoyl]-N-(5-nitro-2-pyridinyl)pyrazolidine-1-carboxamide;hydrochloride

C15H23ClN6O4 — CID 11269198

IUPAC2-[(2S,3S)-2-amino-3-methylpentanoyl]-N-(5-nitro-2-pyridinyl)pyrazolidine-1-carboxamide;hydrochloride
SMILESCC[C@H](C)[C@H](N)C(=O)N1CCCN1C(=O)Nc1ccc([N+](=O)[O-])cn1.Cl
InChIInChI=1S/C15H22N6O4.ClH/c1-3-10(2)13(16)14(22)19-7-4-8-20(19)15(23)18-12-6-5-11(9-17-12)21(24)25;/h5-6,9-10,13H,3-4,7-8,16H2,1-2H3,(H,17,18,23);1H/t10-,13-;/m0./s1
InChIKeyWSWLERQNHQXHMN-VVBGOIRUSA-N
MW386.84 g/mol
LogP1.77
Rot. Bonds5

About 2-[(2S,3S)-2-amino-3-methylpentanoyl]-N-(5-nitro-2-pyridinyl)pyrazolidine-1-carboxamide;hydrochloride

2-[(2S,3S)-2-amino-3-methylpentanoyl]-N-(5-nitro-2-pyridinyl)pyrazolidine-1-carboxamide;hydrochloride (PubChem CID 11269198) has the molecular formula C15H23ClN6O4 and a molecular weight of 386.84 g/mol. Its IUPAC name is 2-[(2S,3S)-2-amino-3-methylpentanoyl]-N-(5-nitro-2-pyridinyl)pyrazolidine-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-[(2S,3S)-2-amino-3-methylpentanoyl]-N-(5-nitro-2-pyridinyl)pyrazolidine-1-carboxamide;hydrochloride
PubChem CID11269198
Molecular FormulaC15H23ClN6O4
Molecular Weight386.84 g/mol
Exact Mass386.15
IUPAC Name2-[(2S,3S)-2-amino-3-methylpentanoyl]-N-(5-nitro-2-pyridinyl)pyrazolidine-1-carboxamide;hydrochloride
SMILESCC[C@H](C)[C@H](N)C(=O)N1CCCN1C(=O)Nc1ccc([N+](=O)[O-])cn1.Cl
InChIInChI=1S/C15H22N6O4.ClH/c1-3-10(2)13(16)14(22)19-7-4-8-20(19)15(23)18-12-6-5-11(9-17-12)21(24)25;/h5-6,9-10,13H,3-4,7-8,16H2,1-2H3,(H,17,18,23);1H/t10-,13-;/m0./s1
InChIKeyWSWLERQNHQXHMN-VVBGOIRUSA-N
XLogP1.77
TPSA134.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 51.77
H-Bond Donors ≤ 52
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

2-(2-amino-3-methylpentanoyl)-N-pyrimidin-4-ylpyrazolidine-1-carboxamide;hydrochloride
CID 72797409
2-(2-amino-3-methylpentanoyl)-N-pyridin-4-ylpyrazolidine-1-carboxamide
CID 72820761
2-(2-amino-3-methylpentanoyl)-N-(5-tert-butyl-1,2-oxazol-3-yl)pyrazolidine-1-carboxamide;hydrochloride
CID 142676073
2-amino-3-methyl-1-[4-(4-nitrobenzoyl)piperazin-1-yl]pentan-1-one
CID 119799635
N-butan-2-yl-3-[(5-nitro-2-pyridinyl)amino]propanamide
CID 47282818
[[(5-nitro-2-pyridinyl)amino]carbamoylamino]methyl propanoate
CID 4543796
2-amino-3-methyl-N-[(4-nitrophenyl)methyl]pentanamide;hydrochloride
CID 119708450
5-nitro-N-pentan-3-ylpyridin-2-amine
CID 43079595
2-methyl-3-(methylamino)-1-[3-[(5-nitro-2-pyridinyl)amino]pyrrolidin-1-yl]propan-1-one;dihydrochloride
CID 119890640
2-amino-3-methyl-1-[4-(4-nitrophenoxy)piperidin-1-yl]pentan-1-one
CID 119802701
N-(5-nitro-2-pyridinyl)cyclohexanecarboxamide
CID 2931199
2-[(5-nitro-2-pyridinyl)amino]propanamide
CID 43402589

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,3S)-2-amino-3-methylpentanoyl]-N-(5-nitro-2-pyridinyl)pyrazolidine-1-carboxamide;hydrochloride?
The IUPAC name of 2-[(2S,3S)-2-amino-3-methylpentanoyl]-N-(5-nitro-2-pyridinyl)pyrazolidine-1-carboxamide;hydrochloride (CID 11269198) is 2-[(2S,3S)-2-amino-3-methylpentanoyl]-N-(5-nitro-2-pyridinyl)pyrazolidine-1-carboxamide;hydrochloride.
What is the SMILES notation for 2-[(2S,3S)-2-amino-3-methylpentanoyl]-N-(5-nitro-2-pyridinyl)pyrazolidine-1-carboxamide;hydrochloride?
The canonical SMILES for 2-[(2S,3S)-2-amino-3-methylpentanoyl]-N-(5-nitro-2-pyridinyl)pyrazolidine-1-carboxamide;hydrochloride is CC[C@H](C)[C@H](N)C(=O)N1CCCN1C(=O)Nc1ccc([N+](=O)[O-])cn1.Cl.
What is the InChIKey of 2-[(2S,3S)-2-amino-3-methylpentanoyl]-N-(5-nitro-2-pyridinyl)pyrazolidine-1-carboxamide;hydrochloride?
The InChIKey is WSWLERQNHQXHMN-VVBGOIRUSA-N. The full InChI is InChI=1S/C15H22N6O4.ClH/c1-3-10(2)13(16)14(22)19-7-4-8-20(19)15(23)18-12-6-5-11(9-17-12)21(24)25;/h5-6,9-10,13H,3-4,7-8,16H2,1-2H3,(H,17,18,23);1H/t10-,13-;/m0./s1.
What are the key properties of 2-[(2S,3S)-2-amino-3-methylpentanoyl]-N-(5-nitro-2-pyridinyl)pyrazolidine-1-carboxamide;hydrochloride?
2-[(2S,3S)-2-amino-3-methylpentanoyl]-N-(5-nitro-2-pyridinyl)pyrazolidine-1-carboxamide;hydrochloride has a molecular weight of 386.84 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,3S)-2-amino-3-methylpentanoyl]-N-(5-nitro-2-pyridinyl)pyrazolidine-1-carboxamide;hydrochloride is sourced from PubChem (CID 11269198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).