1-[4-[3-(dimethylamino)phenyl]pyrimidin-2-yl]piperidine-4-carboxamide

C18H23N5O — CID 46907720

IUPAC1-[4-[3-(dimethylamino)phenyl]pyrimidin-2-yl]piperidine-4-carboxamide
SMILESCN(C)c1cccc(-c2ccnc(N3CCC(C(N)=O)CC3)n2)c1
InChIInChI=1S/C18H23N5O/c1-22(2)15-5-3-4-14(12-15)16-6-9-20-18(21-16)23-10-7-13(8-11-23)17(19)24/h3-6,9,12-13H,7-8,10-11H2,1-2H3,(H2,19,24)
InChIKeyGJYPMTHSXAOZHG-UHFFFAOYSA-N
MW325.42 g/mol
LogP1.91
Rot. Bonds4

About 1-[4-[3-(dimethylamino)phenyl]pyrimidin-2-yl]piperidine-4-carboxamide

1-[4-[3-(dimethylamino)phenyl]pyrimidin-2-yl]piperidine-4-carboxamide (PubChem CID 46907720) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 1-[4-[3-(dimethylamino)phenyl]pyrimidin-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-[3-(dimethylamino)phenyl]pyrimidin-2-yl]piperidine-4-carboxamide
PubChem CID46907720
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name1-[4-[3-(dimethylamino)phenyl]pyrimidin-2-yl]piperidine-4-carboxamide
SMILESCN(C)c1cccc(-c2ccnc(N3CCC(C(N)=O)CC3)n2)c1
InChIInChI=1S/C18H23N5O/c1-22(2)15-5-3-4-14(12-15)16-6-9-20-18(21-16)23-10-7-13(8-11-23)17(19)24/h3-6,9,12-13H,7-8,10-11H2,1-2H3,(H2,19,24)
InChIKeyGJYPMTHSXAOZHG-UHFFFAOYSA-N
XLogP1.91
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(dimethylamino)phenyl]pyrimidin-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-[3-(dimethylamino)phenyl]pyrimidin-2-yl]piperidine-4-carboxamide (CID 46907720) is 1-[4-[3-(dimethylamino)phenyl]pyrimidin-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-[3-(dimethylamino)phenyl]pyrimidin-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-[3-(dimethylamino)phenyl]pyrimidin-2-yl]piperidine-4-carboxamide is CN(C)c1cccc(-c2ccnc(N3CCC(C(N)=O)CC3)n2)c1.
What is the InChIKey of 1-[4-[3-(dimethylamino)phenyl]pyrimidin-2-yl]piperidine-4-carboxamide?
The InChIKey is GJYPMTHSXAOZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-22(2)15-5-3-4-14(12-15)16-6-9-20-18(21-16)23-10-7-13(8-11-23)17(19)24/h3-6,9,12-13H,7-8,10-11H2,1-2H3,(H2,19,24).
What are the key properties of 1-[4-[3-(dimethylamino)phenyl]pyrimidin-2-yl]piperidine-4-carboxamide?
1-[4-[3-(dimethylamino)phenyl]pyrimidin-2-yl]piperidine-4-carboxamide has a molecular weight of 325.42 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(dimethylamino)phenyl]pyrimidin-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 46907720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).