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

C22H29N3O2S — CID 86961518

IUPAC6-(diethylamino)-N-[3-(oxan-4-ylsulfanylmethyl)phenyl]pyridine-3-carboxamide
SMILESCCN(CC)c1ccc(C(=O)Nc2cccc(CSC3CCOCC3)c2)cn1
InChIInChI=1S/C22H29N3O2S/c1-3-25(4-2)21-9-8-18(15-23-21)22(26)24-19-7-5-6-17(14-19)16-28-20-10-12-27-13-11-20/h5-9,14-15,20H,3-4,10-13,16H2,1-2H3,(H,24,26)
InChIKeyPIIOXSNXHNCFRL-UHFFFAOYSA-N
MW399.56 g/mol
LogP4.59
Rot. Bonds8

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

6-(diethylamino)-N-[3-(oxan-4-ylsulfanylmethyl)phenyl]pyridine-3-carboxamide (PubChem CID 86961518) has the molecular formula C22H29N3O2S and a molecular weight of 399.56 g/mol. Its IUPAC name is 6-(diethylamino)-N-[3-(oxan-4-ylsulfanylmethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(diethylamino)-N-[3-(oxan-4-ylsulfanylmethyl)phenyl]pyridine-3-carboxamide
PubChem CID86961518
Molecular FormulaC22H29N3O2S
Molecular Weight399.56 g/mol
Exact Mass399.20
IUPAC Name6-(diethylamino)-N-[3-(oxan-4-ylsulfanylmethyl)phenyl]pyridine-3-carboxamide
SMILESCCN(CC)c1ccc(C(=O)Nc2cccc(CSC3CCOCC3)c2)cn1
InChIInChI=1S/C22H29N3O2S/c1-3-25(4-2)21-9-8-18(15-23-21)22(26)24-19-7-5-6-17(14-19)16-28-20-10-12-27-13-11-20/h5-9,14-15,20H,3-4,10-13,16H2,1-2H3,(H,24,26)
InChIKeyPIIOXSNXHNCFRL-UHFFFAOYSA-N
XLogP4.59
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.56
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(oxan-4-ylsulfanylmethyl)phenyl]furan-3-carboxamide
CID 71875712
N-[3-(oxan-4-ylsulfanylmethyl)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 86961679
6-(diethylamino)-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]pyridine-3-carboxamide
CID 48657361
3-(2-methylsulfanylimidazol-1-yl)-N-[3-(oxan-4-ylsulfanylmethyl)phenyl]benzamide
CID 86961638
N-[3-(oxan-4-ylsulfanylmethyl)phenyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 86961703
N-[3-[[6-(diethylamino)-3-pyridinyl]carbamoyl]phenyl]oxolane-2-carboxamide
CID 55784217
4-(4-chlorophenyl)-N-[3-(oxan-4-ylsulfanylmethyl)phenyl]-4-oxobutanamide
CID 86962233
4-chloro-2-methoxy-N-[3-(oxan-4-ylsulfanylmethyl)phenyl]benzamide
CID 86961557
N-[3-(oxan-4-ylsulfanylmethyl)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 86961775
N-(3-acetamidophenyl)-6-(dipropylamino)pyridine-3-carboxamide
CID 109161832
(2S)-N-[3-(oxan-4-ylsulfanylmethyl)phenyl]-2-pyrazol-1-ylpropanamide
CID 97067664
1-[3-(oxan-4-ylsulfanylmethyl)phenyl]-3-(2-phenylbutan-2-yl)urea
CID 86962680

Frequently Asked Questions

What is the IUPAC name of 6-(diethylamino)-N-[3-(oxan-4-ylsulfanylmethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-(diethylamino)-N-[3-(oxan-4-ylsulfanylmethyl)phenyl]pyridine-3-carboxamide (CID 86961518) is 6-(diethylamino)-N-[3-(oxan-4-ylsulfanylmethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(diethylamino)-N-[3-(oxan-4-ylsulfanylmethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(diethylamino)-N-[3-(oxan-4-ylsulfanylmethyl)phenyl]pyridine-3-carboxamide is CCN(CC)c1ccc(C(=O)Nc2cccc(CSC3CCOCC3)c2)cn1.
What is the InChIKey of 6-(diethylamino)-N-[3-(oxan-4-ylsulfanylmethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is PIIOXSNXHNCFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2S/c1-3-25(4-2)21-9-8-18(15-23-21)22(26)24-19-7-5-6-17(14-19)16-28-20-10-12-27-13-11-20/h5-9,14-15,20H,3-4,10-13,16H2,1-2H3,(H,24,26).
What are the key properties of 6-(diethylamino)-N-[3-(oxan-4-ylsulfanylmethyl)phenyl]pyridine-3-carboxamide?
6-(diethylamino)-N-[3-(oxan-4-ylsulfanylmethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 399.56 g/mol, XLogP of 4.59, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diethylamino)-N-[3-(oxan-4-ylsulfanylmethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 86961518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).