2-chloro-N-(1-cyclopropylpyrrolidin-3-yl)-5-nitropyridine-4-carboxamide

C13H15ClN4O3 — CID 103733257

IUPAC2-chloro-N-(1-cyclopropylpyrrolidin-3-yl)-5-nitropyridine-4-carboxamide
SMILESO=C(NC1CCN(C2CC2)C1)c1cc(Cl)ncc1[N+](=O)[O-]
InChIInChI=1S/C13H15ClN4O3/c14-12-5-10(11(6-15-12)18(20)21)13(19)16-8-3-4-17(7-8)9-1-2-9/h5-6,8-9H,1-4,7H2,(H,16,19)
InChIKeyVQVZIVZEZRZYIU-UHFFFAOYSA-N
MW310.74 g/mol
LogP1.61
Rot. Bonds4

About 2-chloro-N-(1-cyclopropylpyrrolidin-3-yl)-5-nitropyridine-4-carboxamide

2-chloro-N-(1-cyclopropylpyrrolidin-3-yl)-5-nitropyridine-4-carboxamide (PubChem CID 103733257) has the molecular formula C13H15ClN4O3 and a molecular weight of 310.74 g/mol. Its IUPAC name is 2-chloro-N-(1-cyclopropylpyrrolidin-3-yl)-5-nitropyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(1-cyclopropylpyrrolidin-3-yl)-5-nitropyridine-4-carboxamide
PubChem CID103733257
Molecular FormulaC13H15ClN4O3
Molecular Weight310.74 g/mol
Exact Mass310.08
IUPAC Name2-chloro-N-(1-cyclopropylpyrrolidin-3-yl)-5-nitropyridine-4-carboxamide
SMILESO=C(NC1CCN(C2CC2)C1)c1cc(Cl)ncc1[N+](=O)[O-]
InChIInChI=1S/C13H15ClN4O3/c14-12-5-10(11(6-15-12)18(20)21)13(19)16-8-3-4-17(7-8)9-1-2-9/h5-6,8-9H,1-4,7H2,(H,16,19)
InChIKeyVQVZIVZEZRZYIU-UHFFFAOYSA-N
XLogP1.61
TPSA88.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.74
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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 2-chloro-N-(1-cyclopropylpyrrolidin-3-yl)-5-nitropyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-(1-cyclopropylpyrrolidin-3-yl)-5-nitropyridine-4-carboxamide (CID 103733257) is 2-chloro-N-(1-cyclopropylpyrrolidin-3-yl)-5-nitropyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(1-cyclopropylpyrrolidin-3-yl)-5-nitropyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(1-cyclopropylpyrrolidin-3-yl)-5-nitropyridine-4-carboxamide is O=C(NC1CCN(C2CC2)C1)c1cc(Cl)ncc1[N+](=O)[O-].
What is the InChIKey of 2-chloro-N-(1-cyclopropylpyrrolidin-3-yl)-5-nitropyridine-4-carboxamide?
The InChIKey is VQVZIVZEZRZYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O3/c14-12-5-10(11(6-15-12)18(20)21)13(19)16-8-3-4-17(7-8)9-1-2-9/h5-6,8-9H,1-4,7H2,(H,16,19).
What are the key properties of 2-chloro-N-(1-cyclopropylpyrrolidin-3-yl)-5-nitropyridine-4-carboxamide?
2-chloro-N-(1-cyclopropylpyrrolidin-3-yl)-5-nitropyridine-4-carboxamide has a molecular weight of 310.74 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-cyclopropylpyrrolidin-3-yl)-5-nitropyridine-4-carboxamide is sourced from PubChem (CID 103733257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).