1-[4-(dimethylamino)pyrimidin-5-yl]-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide

C18H30N6O — CID 53165594

IUPAC1-[4-(dimethylamino)pyrimidin-5-yl]-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide
SMILESCN(C)c1ncncc1N1CCC(C(=O)NCCN2CCCC2)CC1
InChIInChI=1S/C18H30N6O/c1-22(2)17-16(13-19-14-21-17)24-10-5-15(6-11-24)18(25)20-7-12-23-8-3-4-9-23/h13-15H,3-12H2,1-2H3,(H,20,25)
InChIKeyQBHMTBPDBFYBDT-UHFFFAOYSA-N
MW346.48 g/mol
LogP0.97
Rot. Bonds6

About 1-[4-(dimethylamino)pyrimidin-5-yl]-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide

1-[4-(dimethylamino)pyrimidin-5-yl]-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide (PubChem CID 53165594) has the molecular formula C18H30N6O and a molecular weight of 346.48 g/mol. Its IUPAC name is 1-[4-(dimethylamino)pyrimidin-5-yl]-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(dimethylamino)pyrimidin-5-yl]-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide
PubChem CID53165594
Molecular FormulaC18H30N6O
Molecular Weight346.48 g/mol
Exact Mass346.25
IUPAC Name1-[4-(dimethylamino)pyrimidin-5-yl]-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide
SMILESCN(C)c1ncncc1N1CCC(C(=O)NCCN2CCCC2)CC1
InChIInChI=1S/C18H30N6O/c1-22(2)17-16(13-19-14-21-17)24-10-5-15(6-11-24)18(25)20-7-12-23-8-3-4-9-23/h13-15H,3-12H2,1-2H3,(H,20,25)
InChIKeyQBHMTBPDBFYBDT-UHFFFAOYSA-N
XLogP0.97
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)pyrimidin-5-yl]-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[4-(dimethylamino)pyrimidin-5-yl]-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide (CID 53165594) is 1-[4-(dimethylamino)pyrimidin-5-yl]-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(dimethylamino)pyrimidin-5-yl]-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[4-(dimethylamino)pyrimidin-5-yl]-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide is CN(C)c1ncncc1N1CCC(C(=O)NCCN2CCCC2)CC1.
What is the InChIKey of 1-[4-(dimethylamino)pyrimidin-5-yl]-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide?
The InChIKey is QBHMTBPDBFYBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N6O/c1-22(2)17-16(13-19-14-21-17)24-10-5-15(6-11-24)18(25)20-7-12-23-8-3-4-9-23/h13-15H,3-12H2,1-2H3,(H,20,25).
What are the key properties of 1-[4-(dimethylamino)pyrimidin-5-yl]-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide?
1-[4-(dimethylamino)pyrimidin-5-yl]-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide has a molecular weight of 346.48 g/mol, XLogP of 0.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)pyrimidin-5-yl]-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 53165594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).