N-ethyl-1-(5-methoxypyrimidin-2-yl)pyrrolidine-3-carboxamide

C12H18N4O2 — CID 134697949

IUPACN-ethyl-1-(5-methoxypyrimidin-2-yl)pyrrolidine-3-carboxamide
SMILESCCNC(=O)C1CCN(c2ncc(OC)cn2)C1
InChIInChI=1S/C12H18N4O2/c1-3-13-11(17)9-4-5-16(8-9)12-14-6-10(18-2)7-15-12/h6-7,9H,3-5,8H2,1-2H3,(H,13,17)
InChIKeyJUULBIUHSYINAP-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.45
Rot. Bonds4

About N-ethyl-1-(5-methoxypyrimidin-2-yl)pyrrolidine-3-carboxamide

N-ethyl-1-(5-methoxypyrimidin-2-yl)pyrrolidine-3-carboxamide (PubChem CID 134697949) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-ethyl-1-(5-methoxypyrimidin-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-(5-methoxypyrimidin-2-yl)pyrrolidine-3-carboxamide
PubChem CID134697949
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC NameN-ethyl-1-(5-methoxypyrimidin-2-yl)pyrrolidine-3-carboxamide
SMILESCCNC(=O)C1CCN(c2ncc(OC)cn2)C1
InChIInChI=1S/C12H18N4O2/c1-3-13-11(17)9-4-5-16(8-9)12-14-6-10(18-2)7-15-12/h6-7,9H,3-5,8H2,1-2H3,(H,13,17)
InChIKeyJUULBIUHSYINAP-UHFFFAOYSA-N
XLogP0.45
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-methoxypyrimidin-2-yl)piperidine-4-carboxamide
CID 154883318
N-ethyl-1-(5-methoxypyrimidin-2-yl)piperazine-2-carboxamide
CID 114600957
N-[1-(5-methoxypyrimidin-2-yl)piperidin-3-yl]cyclobutanecarboxamide
CID 171335318
1-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]-N-ethylpiperidine-3-carboxamide
CID 133344788
(3R)-N-methyl-1-pyrimidin-2-ylpyrrolidine-3-carboxamide
CID 95839521
1-[5-(ethylaminomethyl)pyrimidin-2-yl]-N-methylpiperidine-3-carboxamide
CID 103197016
N-[(4-methoxyphenyl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3221424
N-[2-(4-methoxyphenyl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3223369
N-[(3-methoxyphenyl)methyl]-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide
CID 53107209
(3S)-N-[(3-methoxyphenyl)methyl]-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide
CID 95085955
(3S)-N-ethyl-1-[7-methoxy-2-[4-[2-(methylamino)ethoxy]phenyl]quinolin-4-yl]pyrrolidine-3-carboxamide
CID 177173980
(3S)-N-[(3-methoxyphenyl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 1452514

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(5-methoxypyrimidin-2-yl)pyrrolidine-3-carboxamide?
The IUPAC name of N-ethyl-1-(5-methoxypyrimidin-2-yl)pyrrolidine-3-carboxamide (CID 134697949) is N-ethyl-1-(5-methoxypyrimidin-2-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-ethyl-1-(5-methoxypyrimidin-2-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-ethyl-1-(5-methoxypyrimidin-2-yl)pyrrolidine-3-carboxamide is CCNC(=O)C1CCN(c2ncc(OC)cn2)C1.
What is the InChIKey of N-ethyl-1-(5-methoxypyrimidin-2-yl)pyrrolidine-3-carboxamide?
The InChIKey is JUULBIUHSYINAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-3-13-11(17)9-4-5-16(8-9)12-14-6-10(18-2)7-15-12/h6-7,9H,3-5,8H2,1-2H3,(H,13,17).
What are the key properties of N-ethyl-1-(5-methoxypyrimidin-2-yl)pyrrolidine-3-carboxamide?
N-ethyl-1-(5-methoxypyrimidin-2-yl)pyrrolidine-3-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(5-methoxypyrimidin-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 134697949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).