N-[1-(4-cyclopentylpyrimidin-2-yl)pyrrolidin-3-yl]-N-ethylacetamide

C17H26N4O — CID 56867847

IUPACN-[1-(4-cyclopentylpyrimidin-2-yl)pyrrolidin-3-yl]-N-ethylacetamide
SMILESCCN(C(C)=O)C1CCN(c2nccc(C3CCCC3)n2)C1
InChIInChI=1S/C17H26N4O/c1-3-21(13(2)22)15-9-11-20(12-15)17-18-10-8-16(19-17)14-6-4-5-7-14/h8,10,14-15H,3-7,9,11-12H2,1-2H3
InChIKeyYVJGZHDIKIANLE-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.58
Rot. Bonds4

About N-[1-(4-cyclopentylpyrimidin-2-yl)pyrrolidin-3-yl]-N-ethylacetamide

N-[1-(4-cyclopentylpyrimidin-2-yl)pyrrolidin-3-yl]-N-ethylacetamide (PubChem CID 56867847) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is N-[1-(4-cyclopentylpyrimidin-2-yl)pyrrolidin-3-yl]-N-ethylacetamide.

Molecular Properties

Compound NameN-[1-(4-cyclopentylpyrimidin-2-yl)pyrrolidin-3-yl]-N-ethylacetamide
PubChem CID56867847
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC NameN-[1-(4-cyclopentylpyrimidin-2-yl)pyrrolidin-3-yl]-N-ethylacetamide
SMILESCCN(C(C)=O)C1CCN(c2nccc(C3CCCC3)n2)C1
InChIInChI=1S/C17H26N4O/c1-3-21(13(2)22)15-9-11-20(12-15)17-18-10-8-16(19-17)14-6-4-5-7-14/h8,10,14-15H,3-7,9,11-12H2,1-2H3
InChIKeyYVJGZHDIKIANLE-UHFFFAOYSA-N
XLogP2.58
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-Ethyl-N-{1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-YL]pyrrolidin-3-YL}acetamide
CID 56865162
1-(4-cyclopentylpyrimidin-2-yl)-N-ethylpyrrolidine-3-carboxamide
CID 56870713
1-(4-cyclopentylpyrimidin-2-yl)-N,N-diethylpyrrolidin-3-amine
CID 56872162
1-(Cyclohexylmethyl)-4-[(4-ethyl-5-methylpyrimidin-2-yl)amino]pyrrolidin-2-one
CID 56901227
4-cyclopentyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-2-amine
CID 56918212
(3S,4S)-N-methyl-1-(2-methylpropanoyl)-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 92553173
(3S,4S)-N-methyl-1-propanoyl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 92585512
2-(Dimethylamino)-1-[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]ethanone
CID 95824567
1-[3-[2-(Dimethylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 110249232
1-[2-[2-(Dimethylamino)-5-phenylpyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 110266033
1-[2-[2-(Pyrimidin-5-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 110267170
1-[3-[2-Methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 110269654

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyclopentylpyrimidin-2-yl)pyrrolidin-3-yl]-N-ethylacetamide?
The IUPAC name of N-[1-(4-cyclopentylpyrimidin-2-yl)pyrrolidin-3-yl]-N-ethylacetamide (CID 56867847) is N-[1-(4-cyclopentylpyrimidin-2-yl)pyrrolidin-3-yl]-N-ethylacetamide.
What is the SMILES notation for N-[1-(4-cyclopentylpyrimidin-2-yl)pyrrolidin-3-yl]-N-ethylacetamide?
The canonical SMILES for N-[1-(4-cyclopentylpyrimidin-2-yl)pyrrolidin-3-yl]-N-ethylacetamide is CCN(C(C)=O)C1CCN(c2nccc(C3CCCC3)n2)C1.
What is the InChIKey of N-[1-(4-cyclopentylpyrimidin-2-yl)pyrrolidin-3-yl]-N-ethylacetamide?
The InChIKey is YVJGZHDIKIANLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-3-21(13(2)22)15-9-11-20(12-15)17-18-10-8-16(19-17)14-6-4-5-7-14/h8,10,14-15H,3-7,9,11-12H2,1-2H3.
What are the key properties of N-[1-(4-cyclopentylpyrimidin-2-yl)pyrrolidin-3-yl]-N-ethylacetamide?
N-[1-(4-cyclopentylpyrimidin-2-yl)pyrrolidin-3-yl]-N-ethylacetamide has a molecular weight of 302.42 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyclopentylpyrimidin-2-yl)pyrrolidin-3-yl]-N-ethylacetamide is sourced from PubChem (CID 56867847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).