N-benzyl-4-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)pyridine-2-carboxamide

C22H23N3O2S — CID 133379384

IUPACN-benzyl-4-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)pyridine-2-carboxamide
SMILESCC1CN(c2ccnc(C(=O)NCc3ccccc3)c2)CC(c2ccsc2)O1
InChIInChI=1S/C22H23N3O2S/c1-16-13-25(14-21(27-16)18-8-10-28-15-18)19-7-9-23-20(11-19)22(26)24-12-17-5-3-2-4-6-17/h2-11,15-16,21H,12-14H2,1H3,(H,24,26)
InChIKeyKVGHGPQQUBUIPT-UHFFFAOYSA-N
MW393.51 g/mol
LogP4.04
Rot. Bonds5

About N-benzyl-4-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)pyridine-2-carboxamide

N-benzyl-4-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)pyridine-2-carboxamide (PubChem CID 133379384) has the molecular formula C22H23N3O2S and a molecular weight of 393.51 g/mol. Its IUPAC name is N-benzyl-4-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)pyridine-2-carboxamide
PubChem CID133379384
Molecular FormulaC22H23N3O2S
Molecular Weight393.51 g/mol
Exact Mass393.15
IUPAC NameN-benzyl-4-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)pyridine-2-carboxamide
SMILESCC1CN(c2ccnc(C(=O)NCc3ccccc3)c2)CC(c2ccsc2)O1
InChIInChI=1S/C22H23N3O2S/c1-16-13-25(14-21(27-16)18-8-10-28-15-18)19-7-9-23-20(11-19)22(26)24-12-17-5-3-2-4-6-17/h2-11,15-16,21H,12-14H2,1H3,(H,24,26)
InChIKeyKVGHGPQQUBUIPT-UHFFFAOYSA-N
XLogP4.04
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-4-[(2S)-2-methylthiomorpholin-4-yl]pyridine-2-carboxamide
CID 97316438
N-benzyl-4-[2-(2-methylphenyl)morpholin-4-yl]pyridine-2-carboxamide
CID 133354183
N-(1-benzylcyclopropyl)-4-(2,6-dimethylmorpholin-4-yl)pyridine-2-carboxamide
CID 162682804
2-methyl-N-(pyridin-2-ylmethyl)-6-thiophen-3-ylmorpholine-4-carboxamide
CID 71919519
N-benzyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide
CID 109209654
4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-(2,2,3,3-tetrafluoropropyl)pyridine-2-carboxamide
CID 99837002
2-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133379346
2-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methylcarbamoyl]pyridine-4-carboxylic acid
CID 122055437
4-[3-(2-amino-2-oxoethyl)piperidin-1-yl]-N-benzylpyridine-2-carboxamide
CID 133355871
N-[(4-fluorophenyl)methyl]-4-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 109211394
N-benzyl-4-(4-propyl-1,4-diazepan-1-yl)pyridine-2-carboxamide
CID 133342674
4-(2,6-dimethylpyrimidin-4-yl)-2-methyl-6-thiophen-3-ylmorpholine
CID 133379218

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)pyridine-2-carboxamide?
The IUPAC name of N-benzyl-4-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)pyridine-2-carboxamide (CID 133379384) is N-benzyl-4-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-benzyl-4-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)pyridine-2-carboxamide?
The canonical SMILES for N-benzyl-4-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)pyridine-2-carboxamide is CC1CN(c2ccnc(C(=O)NCc3ccccc3)c2)CC(c2ccsc2)O1.
What is the InChIKey of N-benzyl-4-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)pyridine-2-carboxamide?
The InChIKey is KVGHGPQQUBUIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2S/c1-16-13-25(14-21(27-16)18-8-10-28-15-18)19-7-9-23-20(11-19)22(26)24-12-17-5-3-2-4-6-17/h2-11,15-16,21H,12-14H2,1H3,(H,24,26).
What are the key properties of N-benzyl-4-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)pyridine-2-carboxamide?
N-benzyl-4-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)pyridine-2-carboxamide has a molecular weight of 393.51 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 133379384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).