3-(6-aminopyrimidin-4-yl)-N-(2-piperidin-1-ylethyl)benzamide

C18H23N5O — CID 118760625

IUPAC3-(6-aminopyrimidin-4-yl)-N-(2-piperidin-1-ylethyl)benzamide
SMILESNc1cc(-c2cccc(C(=O)NCCN3CCCCC3)c2)ncn1
InChIInChI=1S/C18H23N5O/c19-17-12-16(21-13-22-17)14-5-4-6-15(11-14)18(24)20-7-10-23-8-2-1-3-9-23/h4-6,11-13H,1-3,7-10H2,(H,20,24)(H2,19,21,22)
InChIKeyIJCBQTQBTRJNBR-UHFFFAOYSA-N
MW325.42 g/mol
LogP1.94
Rot. Bonds5

About 3-(6-aminopyrimidin-4-yl)-N-(2-piperidin-1-ylethyl)benzamide

3-(6-aminopyrimidin-4-yl)-N-(2-piperidin-1-ylethyl)benzamide (PubChem CID 118760625) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 3-(6-aminopyrimidin-4-yl)-N-(2-piperidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name3-(6-aminopyrimidin-4-yl)-N-(2-piperidin-1-ylethyl)benzamide
PubChem CID118760625
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name3-(6-aminopyrimidin-4-yl)-N-(2-piperidin-1-ylethyl)benzamide
SMILESNc1cc(-c2cccc(C(=O)NCCN3CCCCC3)c2)ncn1
InChIInChI=1S/C18H23N5O/c19-17-12-16(21-13-22-17)14-5-4-6-15(11-14)18(24)20-7-10-23-8-2-1-3-9-23/h4-6,11-13H,1-3,7-10H2,(H,20,24)(H2,19,21,22)
InChIKeyIJCBQTQBTRJNBR-UHFFFAOYSA-N
XLogP1.94
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 86703912
(3R)-1-[2-[[4-(6-aminopyrimidin-4-yl)benzoyl]amino]ethyl]piperidine-3-carboxamide
CID 126436789
3-amino-N-(2-pyrrolidin-1-ylethyl)benzamide;dihydrochloride
CID 119834336
3-[3-(dimethylamino)pyrazin-2-yl]-N-(2-piperidin-1-ylethyl)benzamide
CID 50847599
3-chloro-N-(2-piperidin-1-ylethyl)benzamide
CID 4581034
3-(3-amino-1-phenyl-2H-pyrazin-6-yl)-N-(2-piperidin-1-ylethyl)benzamide
CID 150607332
3-methyl-N-(2-piperidin-1-ylethyl)benzamide;hydrochloride
CID 126477808
3-iodo-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 60682573
3-(3-formyl-4-hydroxyphenyl)-N-(2-piperidin-1-ylethyl)benzamide;hydrochloride
CID 170991948
3-[2-[2-(3,5-difluorophenyl)ethylamino]pyrimidin-4-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 58103263
N-butyl-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
CID 53009839
3-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]-N-[2-(4-propylpiperazin-1-yl)ethyl]benzamide
CID 50783692

Frequently Asked Questions

What is the IUPAC name of 3-(6-aminopyrimidin-4-yl)-N-(2-piperidin-1-ylethyl)benzamide?
The IUPAC name of 3-(6-aminopyrimidin-4-yl)-N-(2-piperidin-1-ylethyl)benzamide (CID 118760625) is 3-(6-aminopyrimidin-4-yl)-N-(2-piperidin-1-ylethyl)benzamide.
What is the SMILES notation for 3-(6-aminopyrimidin-4-yl)-N-(2-piperidin-1-ylethyl)benzamide?
The canonical SMILES for 3-(6-aminopyrimidin-4-yl)-N-(2-piperidin-1-ylethyl)benzamide is Nc1cc(-c2cccc(C(=O)NCCN3CCCCC3)c2)ncn1.
What is the InChIKey of 3-(6-aminopyrimidin-4-yl)-N-(2-piperidin-1-ylethyl)benzamide?
The InChIKey is IJCBQTQBTRJNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c19-17-12-16(21-13-22-17)14-5-4-6-15(11-14)18(24)20-7-10-23-8-2-1-3-9-23/h4-6,11-13H,1-3,7-10H2,(H,20,24)(H2,19,21,22).
What are the key properties of 3-(6-aminopyrimidin-4-yl)-N-(2-piperidin-1-ylethyl)benzamide?
3-(6-aminopyrimidin-4-yl)-N-(2-piperidin-1-ylethyl)benzamide has a molecular weight of 325.42 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-aminopyrimidin-4-yl)-N-(2-piperidin-1-ylethyl)benzamide is sourced from PubChem (CID 118760625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).