3-(3-chlorophenyl)-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]propanamide

C20H26ClN5O — CID 122320244

IUPAC3-(3-chlorophenyl)-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]propanamide
SMILESCN(C)c1nc(N2CCCCC2)ncc1NC(=O)CCc1cccc(Cl)c1
InChIInChI=1S/C20H26ClN5O/c1-25(2)19-17(14-22-20(24-19)26-11-4-3-5-12-26)23-18(27)10-9-15-7-6-8-16(21)13-15/h6-8,13-14H,3-5,9-12H2,1-2H3,(H,23,27)
InChIKeyQNHGREMYHMZYGL-UHFFFAOYSA-N
MW387.92 g/mol
LogP3.76
Rot. Bonds6

About 3-(3-chlorophenyl)-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]propanamide

3-(3-chlorophenyl)-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]propanamide (PubChem CID 122320244) has the molecular formula C20H26ClN5O and a molecular weight of 387.92 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]propanamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]propanamide
PubChem CID122320244
Molecular FormulaC20H26ClN5O
Molecular Weight387.92 g/mol
Exact Mass387.18
IUPAC Name3-(3-chlorophenyl)-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]propanamide
SMILESCN(C)c1nc(N2CCCCC2)ncc1NC(=O)CCc1cccc(Cl)c1
InChIInChI=1S/C20H26ClN5O/c1-25(2)19-17(14-22-20(24-19)26-11-4-3-5-12-26)23-18(27)10-9-15-7-6-8-16(21)13-15/h6-8,13-14H,3-5,9-12H2,1-2H3,(H,23,27)
InChIKeyQNHGREMYHMZYGL-UHFFFAOYSA-N
XLogP3.76
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.92
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-4-phenylbutanamide
CID 91969320
N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-3-(3-methylthiophen-2-yl)propanamide
CID 122320309
2-(4-chlorophenoxy)-N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]acetamide
CID 91969330
1-(2-chlorophenyl)-3-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]urea
CID 71807700
2-chloro-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-6-fluorobenzamide
CID 91969367
2-cyclopentyl-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]acetamide
CID 122320170
3-chloro-N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]benzamide
CID 91969413
N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-2-(2-methoxyphenoxy)acetamide
CID 122320175
N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]naphthalene-1-carboxamide
CID 122319909
(E)-3-(4-chlorophenyl)-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]prop-2-enamide
CID 122320289
N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-2-(6-oxopyridazin-1-yl)acetamide
CID 122320015
2-(1-adamantyl)-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]propanamide?
The IUPAC name of 3-(3-chlorophenyl)-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]propanamide (CID 122320244) is 3-(3-chlorophenyl)-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]propanamide.
What is the SMILES notation for 3-(3-chlorophenyl)-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]propanamide?
The canonical SMILES for 3-(3-chlorophenyl)-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]propanamide is CN(C)c1nc(N2CCCCC2)ncc1NC(=O)CCc1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]propanamide?
The InChIKey is QNHGREMYHMZYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN5O/c1-25(2)19-17(14-22-20(24-19)26-11-4-3-5-12-26)23-18(27)10-9-15-7-6-8-16(21)13-15/h6-8,13-14H,3-5,9-12H2,1-2H3,(H,23,27).
What are the key properties of 3-(3-chlorophenyl)-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]propanamide?
3-(3-chlorophenyl)-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]propanamide has a molecular weight of 387.92 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]propanamide is sourced from PubChem (CID 122320244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).