5-chloro-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-morpholin-4-ylpyrimidine-4-carboxamide

C21H28ClN5O2S — CID 47044623

IUPAC5-chloro-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-morpholin-4-ylpyrimidine-4-carboxamide
SMILESCC1CCN(C(CNC(=O)c2nc(N3CCOCC3)ncc2Cl)c2cccs2)CC1
InChIInChI=1S/C21H28ClN5O2S/c1-15-4-6-26(7-5-15)17(18-3-2-12-30-18)14-23-20(28)19-16(22)13-24-21(25-19)27-8-10-29-11-9-27/h2-3,12-13,15,17H,4-11,14H2,1H3,(H,23,28)
InChIKeyJUDXMVBIENKLDU-UHFFFAOYSA-N
MW450.01 g/mol
LogP3.23
Rot. Bonds6

About 5-chloro-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-morpholin-4-ylpyrimidine-4-carboxamide

5-chloro-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-morpholin-4-ylpyrimidine-4-carboxamide (PubChem CID 47044623) has the molecular formula C21H28ClN5O2S and a molecular weight of 450.01 g/mol. Its IUPAC name is 5-chloro-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-morpholin-4-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-morpholin-4-ylpyrimidine-4-carboxamide
PubChem CID47044623
Molecular FormulaC21H28ClN5O2S
Molecular Weight450.01 g/mol
Exact Mass449.17
IUPAC Name5-chloro-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-morpholin-4-ylpyrimidine-4-carboxamide
SMILESCC1CCN(C(CNC(=O)c2nc(N3CCOCC3)ncc2Cl)c2cccs2)CC1
InChIInChI=1S/C21H28ClN5O2S/c1-15-4-6-26(7-5-15)17(18-3-2-12-30-18)14-23-20(28)19-16(22)13-24-21(25-19)27-8-10-29-11-9-27/h2-3,12-13,15,17H,4-11,14H2,1H3,(H,23,28)
InChIKeyJUDXMVBIENKLDU-UHFFFAOYSA-N
XLogP3.23
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.01
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-chloro-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-morpholin-4-ylpyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-morpholin-4-ylsulfonylbenzamide
CID 55622785
N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]pyridine-2-carboxamide
CID 43006358
2-chloro-4-fluoro-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 43006400
N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 43006371
5,6-dichloro-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]pyridine-3-carboxamide
CID 2509986
6-chloro-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]pyridine-3-carboxamide
CID 31334942
2-chloro-N-[1-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-1-oxopropan-2-yl]benzamide
CID 55337540
4-methoxy-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 35577491
(3R)-3-[(5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carbonyl)amino]-3-thiophen-2-ylpropanoic acid
CID 124704765
6-methyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]pyridine-3-carboxamide
CID 30386631
2,3-dimethyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]quinoxaline-6-carboxamide
CID 42922665
4-chloro-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-nitrobenzamide
CID 8781620

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-morpholin-4-ylpyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-morpholin-4-ylpyrimidine-4-carboxamide (CID 47044623) is 5-chloro-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-morpholin-4-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-morpholin-4-ylpyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-morpholin-4-ylpyrimidine-4-carboxamide is CC1CCN(C(CNC(=O)c2nc(N3CCOCC3)ncc2Cl)c2cccs2)CC1.
What is the InChIKey of 5-chloro-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-morpholin-4-ylpyrimidine-4-carboxamide?
The InChIKey is JUDXMVBIENKLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28ClN5O2S/c1-15-4-6-26(7-5-15)17(18-3-2-12-30-18)14-23-20(28)19-16(22)13-24-21(25-19)27-8-10-29-11-9-27/h2-3,12-13,15,17H,4-11,14H2,1H3,(H,23,28).
What are the key properties of 5-chloro-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-morpholin-4-ylpyrimidine-4-carboxamide?
5-chloro-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-morpholin-4-ylpyrimidine-4-carboxamide has a molecular weight of 450.01 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-morpholin-4-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 47044623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).