N-butyl-1-[4-(dimethylamino)pyrimidin-5-yl]-N-methylpiperidine-4-carboxamide

C17H29N5O — CID 53165544

IUPACN-butyl-1-[4-(dimethylamino)pyrimidin-5-yl]-N-methylpiperidine-4-carboxamide
SMILESCCCCN(C)C(=O)C1CCN(c2cncnc2N(C)C)CC1
InChIInChI=1S/C17H29N5O/c1-5-6-9-21(4)17(23)14-7-10-22(11-8-14)15-12-18-13-19-16(15)20(2)3/h12-14H,5-11H2,1-4H3
InChIKeyLBVNCVLAMDMATL-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.02
Rot. Bonds6

About N-butyl-1-[4-(dimethylamino)pyrimidin-5-yl]-N-methylpiperidine-4-carboxamide

N-butyl-1-[4-(dimethylamino)pyrimidin-5-yl]-N-methylpiperidine-4-carboxamide (PubChem CID 53165544) has the molecular formula C17H29N5O and a molecular weight of 319.45 g/mol. Its IUPAC name is N-butyl-1-[4-(dimethylamino)pyrimidin-5-yl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-1-[4-(dimethylamino)pyrimidin-5-yl]-N-methylpiperidine-4-carboxamide
PubChem CID53165544
Molecular FormulaC17H29N5O
Molecular Weight319.45 g/mol
Exact Mass319.24
IUPAC NameN-butyl-1-[4-(dimethylamino)pyrimidin-5-yl]-N-methylpiperidine-4-carboxamide
SMILESCCCCN(C)C(=O)C1CCN(c2cncnc2N(C)C)CC1
InChIInChI=1S/C17H29N5O/c1-5-6-9-21(4)17(23)14-7-10-22(11-8-14)15-12-18-13-19-16(15)20(2)3/h12-14H,5-11H2,1-4H3
InChIKeyLBVNCVLAMDMATL-UHFFFAOYSA-N
XLogP2.02
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-butyl-1-[4-(dimethylamino)pyrimidin-5-yl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of N-butyl-1-[4-(dimethylamino)pyrimidin-5-yl]-N-methylpiperidine-4-carboxamide (CID 53165544) is N-butyl-1-[4-(dimethylamino)pyrimidin-5-yl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-butyl-1-[4-(dimethylamino)pyrimidin-5-yl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for N-butyl-1-[4-(dimethylamino)pyrimidin-5-yl]-N-methylpiperidine-4-carboxamide is CCCCN(C)C(=O)C1CCN(c2cncnc2N(C)C)CC1.
What is the InChIKey of N-butyl-1-[4-(dimethylamino)pyrimidin-5-yl]-N-methylpiperidine-4-carboxamide?
The InChIKey is LBVNCVLAMDMATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O/c1-5-6-9-21(4)17(23)14-7-10-22(11-8-14)15-12-18-13-19-16(15)20(2)3/h12-14H,5-11H2,1-4H3.
What are the key properties of N-butyl-1-[4-(dimethylamino)pyrimidin-5-yl]-N-methylpiperidine-4-carboxamide?
N-butyl-1-[4-(dimethylamino)pyrimidin-5-yl]-N-methylpiperidine-4-carboxamide has a molecular weight of 319.45 g/mol, XLogP of 2.02, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-[4-(dimethylamino)pyrimidin-5-yl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 53165544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).