1-(4-amino-5-nitropyrimidin-2-yl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide

C15H16ClN7O3 — CID 133270087

IUPAC1-(4-amino-5-nitropyrimidin-2-yl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
SMILESNc1nc(N2CCCC(C(=O)Nc3ccc(Cl)cn3)C2)ncc1[N+](=O)[O-]
InChIInChI=1S/C15H16ClN7O3/c16-10-3-4-12(18-6-10)20-14(24)9-2-1-5-22(8-9)15-19-7-11(23(25)26)13(17)21-15/h3-4,6-7,9H,1-2,5,8H2,(H2,17,19,21)(H,18,20,24)
InChIKeyVZUXUCWDJLJSIM-UHFFFAOYSA-N
MW377.79 g/mol
LogP1.87
Rot. Bonds4

About 1-(4-amino-5-nitropyrimidin-2-yl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide

1-(4-amino-5-nitropyrimidin-2-yl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide (PubChem CID 133270087) has the molecular formula C15H16ClN7O3 and a molecular weight of 377.79 g/mol. Its IUPAC name is 1-(4-amino-5-nitropyrimidin-2-yl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-amino-5-nitropyrimidin-2-yl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
PubChem CID133270087
Molecular FormulaC15H16ClN7O3
Molecular Weight377.79 g/mol
Exact Mass377.10
IUPAC Name1-(4-amino-5-nitropyrimidin-2-yl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
SMILESNc1nc(N2CCCC(C(=O)Nc3ccc(Cl)cn3)C2)ncc1[N+](=O)[O-]
InChIInChI=1S/C15H16ClN7O3/c16-10-3-4-12(18-6-10)20-14(24)9-2-1-5-22(8-9)15-19-7-11(23(25)26)13(17)21-15/h3-4,6-7,9H,1-2,5,8H2,(H2,17,19,21)(H,18,20,24)
InChIKeyVZUXUCWDJLJSIM-UHFFFAOYSA-N
XLogP1.87
TPSA140.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.79
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-5-nitropyrimidin-2-yl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of 1-(4-amino-5-nitropyrimidin-2-yl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide (CID 133270087) is 1-(4-amino-5-nitropyrimidin-2-yl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-amino-5-nitropyrimidin-2-yl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(4-amino-5-nitropyrimidin-2-yl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide is Nc1nc(N2CCCC(C(=O)Nc3ccc(Cl)cn3)C2)ncc1[N+](=O)[O-].
What is the InChIKey of 1-(4-amino-5-nitropyrimidin-2-yl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide?
The InChIKey is VZUXUCWDJLJSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN7O3/c16-10-3-4-12(18-6-10)20-14(24)9-2-1-5-22(8-9)15-19-7-11(23(25)26)13(17)21-15/h3-4,6-7,9H,1-2,5,8H2,(H2,17,19,21)(H,18,20,24).
What are the key properties of 1-(4-amino-5-nitropyrimidin-2-yl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide?
1-(4-amino-5-nitropyrimidin-2-yl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide has a molecular weight of 377.79 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-5-nitropyrimidin-2-yl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 133270087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).