1-[5-[3-(dimethylamino)phenyl]pyrimidin-2-yl]piperidine-4-carboxamide

C18H23N5O — CID 46907753

IUPAC1-[5-[3-(dimethylamino)phenyl]pyrimidin-2-yl]piperidine-4-carboxamide
SMILESCN(C)c1cccc(-c2cnc(N3CCC(C(N)=O)CC3)nc2)c1
InChIInChI=1S/C18H23N5O/c1-22(2)16-5-3-4-14(10-16)15-11-20-18(21-12-15)23-8-6-13(7-9-23)17(19)24/h3-5,10-13H,6-9H2,1-2H3,(H2,19,24)
InChIKeyVDUAJERSEOWBGP-UHFFFAOYSA-N
MW325.42 g/mol
LogP1.91
Rot. Bonds4

About 1-[5-[3-(dimethylamino)phenyl]pyrimidin-2-yl]piperidine-4-carboxamide

1-[5-[3-(dimethylamino)phenyl]pyrimidin-2-yl]piperidine-4-carboxamide (PubChem CID 46907753) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 1-[5-[3-(dimethylamino)phenyl]pyrimidin-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-[3-(dimethylamino)phenyl]pyrimidin-2-yl]piperidine-4-carboxamide
PubChem CID46907753
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name1-[5-[3-(dimethylamino)phenyl]pyrimidin-2-yl]piperidine-4-carboxamide
SMILESCN(C)c1cccc(-c2cnc(N3CCC(C(N)=O)CC3)nc2)c1
InChIInChI=1S/C18H23N5O/c1-22(2)16-5-3-4-14(10-16)15-11-20-18(21-12-15)23-8-6-13(7-9-23)17(19)24/h3-5,10-13H,6-9H2,1-2H3,(H2,19,24)
InChIKeyVDUAJERSEOWBGP-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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-(dimethylamino)phenyl]pyrimidin-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[5-[3-(dimethylamino)phenyl]pyrimidin-2-yl]piperidine-4-carboxamide (CID 46907753) is 1-[5-[3-(dimethylamino)phenyl]pyrimidin-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[5-[3-(dimethylamino)phenyl]pyrimidin-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[5-[3-(dimethylamino)phenyl]pyrimidin-2-yl]piperidine-4-carboxamide is CN(C)c1cccc(-c2cnc(N3CCC(C(N)=O)CC3)nc2)c1.
What is the InChIKey of 1-[5-[3-(dimethylamino)phenyl]pyrimidin-2-yl]piperidine-4-carboxamide?
The InChIKey is VDUAJERSEOWBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-22(2)16-5-3-4-14(10-16)15-11-20-18(21-12-15)23-8-6-13(7-9-23)17(19)24/h3-5,10-13H,6-9H2,1-2H3,(H2,19,24).
What are the key properties of 1-[5-[3-(dimethylamino)phenyl]pyrimidin-2-yl]piperidine-4-carboxamide?
1-[5-[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-[5-[3-(dimethylamino)phenyl]pyrimidin-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 46907753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).