2-(2-amino-3-methylpentanoyl)-N-pyrimidin-4-ylpyrazolidine-1-carboxamide;hydrochloride

C14H23ClN6O2 — CID 72797409

IUPAC2-(2-amino-3-methylpentanoyl)-N-pyrimidin-4-ylpyrazolidine-1-carboxamide;hydrochloride
SMILESCCC(C)C(N)C(=O)N1CCCN1C(=O)Nc1ccncn1.Cl
InChIInChI=1S/C14H22N6O2.ClH/c1-3-10(2)12(15)13(21)19-7-4-8-20(19)14(22)18-11-5-6-16-9-17-11;/h5-6,9-10,12H,3-4,7-8,15H2,1-2H3,(H,16,17,18,22);1H
InChIKeyBSLXFKGLDCTWET-UHFFFAOYSA-N
MW342.83 g/mol
LogP1.25
Rot. Bonds4

About 2-(2-amino-3-methylpentanoyl)-N-pyrimidin-4-ylpyrazolidine-1-carboxamide;hydrochloride

2-(2-amino-3-methylpentanoyl)-N-pyrimidin-4-ylpyrazolidine-1-carboxamide;hydrochloride (PubChem CID 72797409) has the molecular formula C14H23ClN6O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is 2-(2-amino-3-methylpentanoyl)-N-pyrimidin-4-ylpyrazolidine-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(2-amino-3-methylpentanoyl)-N-pyrimidin-4-ylpyrazolidine-1-carboxamide;hydrochloride
PubChem CID72797409
Molecular FormulaC14H23ClN6O2
Molecular Weight342.83 g/mol
Exact Mass342.16
IUPAC Name2-(2-amino-3-methylpentanoyl)-N-pyrimidin-4-ylpyrazolidine-1-carboxamide;hydrochloride
SMILESCCC(C)C(N)C(=O)N1CCCN1C(=O)Nc1ccncn1.Cl
InChIInChI=1S/C14H22N6O2.ClH/c1-3-10(2)12(15)13(21)19-7-4-8-20(19)14(22)18-11-5-6-16-9-17-11;/h5-6,9-10,12H,3-4,7-8,15H2,1-2H3,(H,16,17,18,22);1H
InChIKeyBSLXFKGLDCTWET-UHFFFAOYSA-N
XLogP1.25
TPSA104.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-amino-3-methylpentanoyl)-N-pyridin-4-ylpyrazolidine-1-carboxamide
CID 72820761
2-[(2S,3S)-2-amino-3-methylpentanoyl]-N-(5-nitro-2-pyridinyl)pyrazolidine-1-carboxamide;hydrochloride
CID 11269198
2-[(2S)-2-amino-3-methylpentanoyl]-N-(3,4-dichlorophenyl)pyrazolidine-1-carboxamide;hydrochloride
CID 45263172
(2S,3S)-2-amino-3-methyl-N-pyrimidin-4-ylpentanamide
CID 110837827
2-(2-amino-3-methylpentanoyl)-N-(5-ethoxy-1,2-oxazol-3-yl)pyrazolidine-1-carboxamide
CID 85428889
2-(2-amino-3-methylpentanoyl)-N-(5-tert-butyl-1,2-oxazol-3-yl)pyrazolidine-1-carboxamide;hydrochloride
CID 142676073
(2S,3S)-2-amino-3-methyl-1-(2-pyridin-4-ylpyrrolidin-1-yl)pentan-1-one
CID 61155959
(2S,3S)-2-amino-3-methyl-N-pyridin-2-ylpentanamide;dihydrochloride
CID 139893651
N-pyrimidin-4-ylbutanamide
CID 130272746
2-methoxy-N-pyrimidin-4-ylacetamide
CID 110460486
(2S,3S)-2-amino-3-methyl-N-pyridin-4-ylpentanamide
CID 61148096
2-amino-3-methyl-N-(2-methyl-4-pyridinyl)pentanamide;dihydrochloride
CID 119832869

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3-methylpentanoyl)-N-pyrimidin-4-ylpyrazolidine-1-carboxamide;hydrochloride?
The IUPAC name of 2-(2-amino-3-methylpentanoyl)-N-pyrimidin-4-ylpyrazolidine-1-carboxamide;hydrochloride (CID 72797409) is 2-(2-amino-3-methylpentanoyl)-N-pyrimidin-4-ylpyrazolidine-1-carboxamide;hydrochloride.
What is the SMILES notation for 2-(2-amino-3-methylpentanoyl)-N-pyrimidin-4-ylpyrazolidine-1-carboxamide;hydrochloride?
The canonical SMILES for 2-(2-amino-3-methylpentanoyl)-N-pyrimidin-4-ylpyrazolidine-1-carboxamide;hydrochloride is CCC(C)C(N)C(=O)N1CCCN1C(=O)Nc1ccncn1.Cl.
What is the InChIKey of 2-(2-amino-3-methylpentanoyl)-N-pyrimidin-4-ylpyrazolidine-1-carboxamide;hydrochloride?
The InChIKey is BSLXFKGLDCTWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O2.ClH/c1-3-10(2)12(15)13(21)19-7-4-8-20(19)14(22)18-11-5-6-16-9-17-11;/h5-6,9-10,12H,3-4,7-8,15H2,1-2H3,(H,16,17,18,22);1H.
What are the key properties of 2-(2-amino-3-methylpentanoyl)-N-pyrimidin-4-ylpyrazolidine-1-carboxamide;hydrochloride?
2-(2-amino-3-methylpentanoyl)-N-pyrimidin-4-ylpyrazolidine-1-carboxamide;hydrochloride has a molecular weight of 342.83 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3-methylpentanoyl)-N-pyrimidin-4-ylpyrazolidine-1-carboxamide;hydrochloride is sourced from PubChem (CID 72797409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).