6-chloro-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-phenylpyridine-3-carboxamide

C19H20ClN3O3 — CID 3231072

IUPAC6-chloro-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-phenylpyridine-3-carboxamide
SMILESO=C(CN(C(=O)c1ccc(Cl)nc1)c1ccccc1)NCC1CCCO1
InChIInChI=1S/C19H20ClN3O3/c20-17-9-8-14(11-21-17)19(25)23(15-5-2-1-3-6-15)13-18(24)22-12-16-7-4-10-26-16/h1-3,5-6,8-9,11,16H,4,7,10,12-13H2,(H,22,24)
InChIKeyVYXNZVPNNFXWLI-UHFFFAOYSA-N
MW373.84 g/mol
LogP2.68
Rot. Bonds6

About 6-chloro-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-phenylpyridine-3-carboxamide

6-chloro-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-phenylpyridine-3-carboxamide (PubChem CID 3231072) has the molecular formula C19H20ClN3O3 and a molecular weight of 373.84 g/mol. Its IUPAC name is 6-chloro-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-phenylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-phenylpyridine-3-carboxamide
PubChem CID3231072
Molecular FormulaC19H20ClN3O3
Molecular Weight373.84 g/mol
Exact Mass373.12
IUPAC Name6-chloro-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-phenylpyridine-3-carboxamide
SMILESO=C(CN(C(=O)c1ccc(Cl)nc1)c1ccccc1)NCC1CCCO1
InChIInChI=1S/C19H20ClN3O3/c20-17-9-8-14(11-21-17)19(25)23(15-5-2-1-3-6-15)13-18(24)22-12-16-7-4-10-26-16/h1-3,5-6,8-9,11,16H,4,7,10,12-13H2,(H,22,24)
InChIKeyVYXNZVPNNFXWLI-UHFFFAOYSA-N
XLogP2.68
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 6-chloro-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-phenylpyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-phenylpyridine-3-carboxamide (CID 3231072) is 6-chloro-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-phenylpyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-phenylpyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-phenylpyridine-3-carboxamide is O=C(CN(C(=O)c1ccc(Cl)nc1)c1ccccc1)NCC1CCCO1.
What is the InChIKey of 6-chloro-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-phenylpyridine-3-carboxamide?
The InChIKey is VYXNZVPNNFXWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O3/c20-17-9-8-14(11-21-17)19(25)23(15-5-2-1-3-6-15)13-18(24)22-12-16-7-4-10-26-16/h1-3,5-6,8-9,11,16H,4,7,10,12-13H2,(H,22,24).
What are the key properties of 6-chloro-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-phenylpyridine-3-carboxamide?
6-chloro-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-phenylpyridine-3-carboxamide has a molecular weight of 373.84 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-phenylpyridine-3-carboxamide is sourced from PubChem (CID 3231072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).