2,5-dichloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)pyridine-4-carboxamide

C14H16Cl2N2O2 — CID 114917944

IUPAC2,5-dichloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)pyridine-4-carboxamide
SMILESO=C(c1cc(Cl)ncc1Cl)N(CC1CCOC1)C1CC1
InChIInChI=1S/C14H16Cl2N2O2/c15-12-6-17-13(16)5-11(12)14(19)18(10-1-2-10)7-9-3-4-20-8-9/h5-6,9-10H,1-4,7-8H2
InChIKeyZXUPFIZUVPQBLI-UHFFFAOYSA-N
MW315.20 g/mol
LogP3.03
Rot. Bonds4

About 2,5-dichloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)pyridine-4-carboxamide

2,5-dichloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)pyridine-4-carboxamide (PubChem CID 114917944) has the molecular formula C14H16Cl2N2O2 and a molecular weight of 315.20 g/mol. Its IUPAC name is 2,5-dichloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)pyridine-4-carboxamide
PubChem CID114917944
Molecular FormulaC14H16Cl2N2O2
Molecular Weight315.20 g/mol
Exact Mass314.06
IUPAC Name2,5-dichloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)pyridine-4-carboxamide
SMILESO=C(c1cc(Cl)ncc1Cl)N(CC1CCOC1)C1CC1
InChIInChI=1S/C14H16Cl2N2O2/c15-12-6-17-13(16)5-11(12)14(19)18(10-1-2-10)7-9-3-4-20-8-9/h5-6,9-10H,1-4,7-8H2
InChIKeyZXUPFIZUVPQBLI-UHFFFAOYSA-N
XLogP3.03
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.20
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 2,5-dichloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)pyridine-4-carboxamide (CID 114917944) is 2,5-dichloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 2,5-dichloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)pyridine-4-carboxamide is O=C(c1cc(Cl)ncc1Cl)N(CC1CCOC1)C1CC1.
What is the InChIKey of 2,5-dichloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)pyridine-4-carboxamide?
The InChIKey is ZXUPFIZUVPQBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O2/c15-12-6-17-13(16)5-11(12)14(19)18(10-1-2-10)7-9-3-4-20-8-9/h5-6,9-10H,1-4,7-8H2.
What are the key properties of 2,5-dichloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)pyridine-4-carboxamide?
2,5-dichloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)pyridine-4-carboxamide has a molecular weight of 315.20 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 114917944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).