N,N-diethyl-1-(4-methoxypyrimidin-2-yl)pyrrolidine-2-carboxamide

C14H22N4O2 — CID 133290040

IUPACN,N-diethyl-1-(4-methoxypyrimidin-2-yl)pyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)C1CCCN1c1nccc(OC)n1
InChIInChI=1S/C14H22N4O2/c1-4-17(5-2)13(19)11-7-6-10-18(11)14-15-9-8-12(16-14)20-3/h8-9,11H,4-7,10H2,1-3H3
InChIKeyXTMDFAMRDHNZNL-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.32
Rot. Bonds5

About N,N-diethyl-1-(4-methoxypyrimidin-2-yl)pyrrolidine-2-carboxamide

N,N-diethyl-1-(4-methoxypyrimidin-2-yl)pyrrolidine-2-carboxamide (PubChem CID 133290040) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N,N-diethyl-1-(4-methoxypyrimidin-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-(4-methoxypyrimidin-2-yl)pyrrolidine-2-carboxamide
PubChem CID133290040
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN,N-diethyl-1-(4-methoxypyrimidin-2-yl)pyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)C1CCCN1c1nccc(OC)n1
InChIInChI=1S/C14H22N4O2/c1-4-17(5-2)13(19)11-7-6-10-18(11)14-15-9-8-12(16-14)20-3/h8-9,11H,4-7,10H2,1-3H3
InChIKeyXTMDFAMRDHNZNL-UHFFFAOYSA-N
XLogP1.32
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-(4-methoxypyrimidin-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of N,N-diethyl-1-(4-methoxypyrimidin-2-yl)pyrrolidine-2-carboxamide (CID 133290040) is N,N-diethyl-1-(4-methoxypyrimidin-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N,N-diethyl-1-(4-methoxypyrimidin-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for N,N-diethyl-1-(4-methoxypyrimidin-2-yl)pyrrolidine-2-carboxamide is CCN(CC)C(=O)C1CCCN1c1nccc(OC)n1.
What is the InChIKey of N,N-diethyl-1-(4-methoxypyrimidin-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is XTMDFAMRDHNZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-4-17(5-2)13(19)11-7-6-10-18(11)14-15-9-8-12(16-14)20-3/h8-9,11H,4-7,10H2,1-3H3.
What are the key properties of N,N-diethyl-1-(4-methoxypyrimidin-2-yl)pyrrolidine-2-carboxamide?
N,N-diethyl-1-(4-methoxypyrimidin-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 1.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-(4-methoxypyrimidin-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 133290040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).