1-[4-(dimethylamino)pyrimidin-5-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide

C19H30N6O2 — CID 53165527

IUPAC1-[4-(dimethylamino)pyrimidin-5-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide
SMILESCN(C)c1ncncc1N1CCC(C(=O)NCCCN2CCCC2=O)CC1
InChIInChI=1S/C19H30N6O2/c1-23(2)18-16(13-20-14-22-18)24-11-6-15(7-12-24)19(27)21-8-4-10-25-9-3-5-17(25)26/h13-15H,3-12H2,1-2H3,(H,21,27)
InChIKeyPMQSPCOUANHYDE-UHFFFAOYSA-N
MW374.49 g/mol
LogP0.89
Rot. Bonds7

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

1-[4-(dimethylamino)pyrimidin-5-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide (PubChem CID 53165527) has the molecular formula C19H30N6O2 and a molecular weight of 374.49 g/mol. Its IUPAC name is 1-[4-(dimethylamino)pyrimidin-5-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(dimethylamino)pyrimidin-5-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide
PubChem CID53165527
Molecular FormulaC19H30N6O2
Molecular Weight374.49 g/mol
Exact Mass374.24
IUPAC Name1-[4-(dimethylamino)pyrimidin-5-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide
SMILESCN(C)c1ncncc1N1CCC(C(=O)NCCCN2CCCC2=O)CC1
InChIInChI=1S/C19H30N6O2/c1-23(2)18-16(13-20-14-22-18)24-11-6-15(7-12-24)19(27)21-8-4-10-25-9-3-5-17(25)26/h13-15H,3-12H2,1-2H3,(H,21,27)
InChIKeyPMQSPCOUANHYDE-UHFFFAOYSA-N
XLogP0.89
TPSA81.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)pyrimidin-5-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-(dimethylamino)pyrimidin-5-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide (CID 53165527) is 1-[4-(dimethylamino)pyrimidin-5-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(dimethylamino)pyrimidin-5-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-(dimethylamino)pyrimidin-5-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide is CN(C)c1ncncc1N1CCC(C(=O)NCCCN2CCCC2=O)CC1.
What is the InChIKey of 1-[4-(dimethylamino)pyrimidin-5-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide?
The InChIKey is PMQSPCOUANHYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6O2/c1-23(2)18-16(13-20-14-22-18)24-11-6-15(7-12-24)19(27)21-8-4-10-25-9-3-5-17(25)26/h13-15H,3-12H2,1-2H3,(H,21,27).
What are the key properties of 1-[4-(dimethylamino)pyrimidin-5-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide?
1-[4-(dimethylamino)pyrimidin-5-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 0.89, 7 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-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide is sourced from PubChem (CID 53165527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).