5-chloro-N-[2-(N-ethyl-2-methylanilino)ethyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide

C20H26ClN5O — CID 47047386

IUPAC5-chloro-N-[2-(N-ethyl-2-methylanilino)ethyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
SMILESCCN(CCNC(=O)c1nc(N2CCCC2)ncc1Cl)c1ccccc1C
InChIInChI=1S/C20H26ClN5O/c1-3-25(17-9-5-4-8-15(17)2)13-10-22-19(27)18-16(21)14-23-20(24-18)26-11-6-7-12-26/h4-5,8-9,14H,3,6-7,10-13H2,1-2H3,(H,22,27)
InChIKeyXKBDYWFIEMQKDI-UHFFFAOYSA-N
MW387.92 g/mol
LogP3.29
Rot. Bonds7

About 5-chloro-N-[2-(N-ethyl-2-methylanilino)ethyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide

5-chloro-N-[2-(N-ethyl-2-methylanilino)ethyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide (PubChem CID 47047386) has the molecular formula C20H26ClN5O and a molecular weight of 387.92 g/mol. Its IUPAC name is 5-chloro-N-[2-(N-ethyl-2-methylanilino)ethyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-(N-ethyl-2-methylanilino)ethyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
PubChem CID47047386
Molecular FormulaC20H26ClN5O
Molecular Weight387.92 g/mol
Exact Mass387.18
IUPAC Name5-chloro-N-[2-(N-ethyl-2-methylanilino)ethyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
SMILESCCN(CCNC(=O)c1nc(N2CCCC2)ncc1Cl)c1ccccc1C
InChIInChI=1S/C20H26ClN5O/c1-3-25(17-9-5-4-8-15(17)2)13-10-22-19(27)18-16(21)14-23-20(24-18)26-11-6-7-12-26/h4-5,8-9,14H,3,6-7,10-13H2,1-2H3,(H,22,27)
InChIKeyXKBDYWFIEMQKDI-UHFFFAOYSA-N
XLogP3.29
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.92
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(N-ethyl-2-methylanilino)ethyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-N-[2-(N-ethyl-2-methylanilino)ethyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide (CID 47047386) is 5-chloro-N-[2-(N-ethyl-2-methylanilino)ethyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-(N-ethyl-2-methylanilino)ethyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-N-[2-(N-ethyl-2-methylanilino)ethyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide is CCN(CCNC(=O)c1nc(N2CCCC2)ncc1Cl)c1ccccc1C.
What is the InChIKey of 5-chloro-N-[2-(N-ethyl-2-methylanilino)ethyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The InChIKey is XKBDYWFIEMQKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN5O/c1-3-25(17-9-5-4-8-15(17)2)13-10-22-19(27)18-16(21)14-23-20(24-18)26-11-6-7-12-26/h4-5,8-9,14H,3,6-7,10-13H2,1-2H3,(H,22,27).
What are the key properties of 5-chloro-N-[2-(N-ethyl-2-methylanilino)ethyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
5-chloro-N-[2-(N-ethyl-2-methylanilino)ethyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide has a molecular weight of 387.92 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(N-ethyl-2-methylanilino)ethyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 47047386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).