6-chloro-N-[4-(diethylamino)phenyl]pyridine-3-carboxamide

C16H18ClN3O — CID 2090709

IUPAC6-chloro-N-[4-(diethylamino)phenyl]pyridine-3-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccc(Cl)nc2)cc1
InChIInChI=1S/C16H18ClN3O/c1-3-20(4-2)14-8-6-13(7-9-14)19-16(21)12-5-10-15(17)18-11-12/h5-11H,3-4H2,1-2H3,(H,19,21)
InChIKeyNVPULQRBTOUZRC-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.83
Rot. Bonds5

About 6-chloro-N-[4-(diethylamino)phenyl]pyridine-3-carboxamide

6-chloro-N-[4-(diethylamino)phenyl]pyridine-3-carboxamide (PubChem CID 2090709) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 6-chloro-N-[4-(diethylamino)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[4-(diethylamino)phenyl]pyridine-3-carboxamide
PubChem CID2090709
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name6-chloro-N-[4-(diethylamino)phenyl]pyridine-3-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccc(Cl)nc2)cc1
InChIInChI=1S/C16H18ClN3O/c1-3-20(4-2)14-8-6-13(7-9-14)19-16(21)12-5-10-15(17)18-11-12/h5-11H,3-4H2,1-2H3,(H,19,21)
InChIKeyNVPULQRBTOUZRC-UHFFFAOYSA-N
XLogP3.83
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[4-(diethylamino)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[4-(diethylamino)phenyl]pyridine-3-carboxamide (CID 2090709) is 6-chloro-N-[4-(diethylamino)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[4-(diethylamino)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[4-(diethylamino)phenyl]pyridine-3-carboxamide is CCN(CC)c1ccc(NC(=O)c2ccc(Cl)nc2)cc1.
What is the InChIKey of 6-chloro-N-[4-(diethylamino)phenyl]pyridine-3-carboxamide?
The InChIKey is NVPULQRBTOUZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-3-20(4-2)14-8-6-13(7-9-14)19-16(21)12-5-10-15(17)18-11-12/h5-11H,3-4H2,1-2H3,(H,19,21).
What are the key properties of 6-chloro-N-[4-(diethylamino)phenyl]pyridine-3-carboxamide?
6-chloro-N-[4-(diethylamino)phenyl]pyridine-3-carboxamide has a molecular weight of 303.79 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[4-(diethylamino)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 2090709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).