(3S)-1-[6-(dimethylamino)pyrimidin-4-yl]-3-methyl-N-(2-methylpropyl)piperidine-3-carboxamide

C17H29N5O — CID 124990602

IUPAC(3S)-1-[6-(dimethylamino)pyrimidin-4-yl]-3-methyl-N-(2-methylpropyl)piperidine-3-carboxamide
SMILESCC(C)CNC(=O)[C@@]1(C)CCCN(c2cc(N(C)C)ncn2)C1
InChIInChI=1S/C17H29N5O/c1-13(2)10-18-16(23)17(3)7-6-8-22(11-17)15-9-14(21(4)5)19-12-20-15/h9,12-13H,6-8,10-11H2,1-5H3,(H,18,23)/t17-/m0/s1
InChIKeyPCYBRKOQMUDJGV-KRWDZBQOSA-N
MW319.45 g/mol
LogP1.92
Rot. Bonds5

About (3S)-1-[6-(dimethylamino)pyrimidin-4-yl]-3-methyl-N-(2-methylpropyl)piperidine-3-carboxamide

(3S)-1-[6-(dimethylamino)pyrimidin-4-yl]-3-methyl-N-(2-methylpropyl)piperidine-3-carboxamide (PubChem CID 124990602) has the molecular formula C17H29N5O and a molecular weight of 319.45 g/mol. Its IUPAC name is (3S)-1-[6-(dimethylamino)pyrimidin-4-yl]-3-methyl-N-(2-methylpropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[6-(dimethylamino)pyrimidin-4-yl]-3-methyl-N-(2-methylpropyl)piperidine-3-carboxamide
PubChem CID124990602
Molecular FormulaC17H29N5O
Molecular Weight319.45 g/mol
Exact Mass319.24
IUPAC Name(3S)-1-[6-(dimethylamino)pyrimidin-4-yl]-3-methyl-N-(2-methylpropyl)piperidine-3-carboxamide
SMILESCC(C)CNC(=O)[C@@]1(C)CCCN(c2cc(N(C)C)ncn2)C1
InChIInChI=1S/C17H29N5O/c1-13(2)10-18-16(23)17(3)7-6-8-22(11-17)15-9-14(21(4)5)19-12-20-15/h9,12-13H,6-8,10-11H2,1-5H3,(H,18,23)/t17-/m0/s1
InChIKeyPCYBRKOQMUDJGV-KRWDZBQOSA-N
XLogP1.92
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[6-(dimethylamino)pyrimidin-4-yl]-3-methyl-N-(2-methylpropyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[6-(dimethylamino)pyrimidin-4-yl]-3-methyl-N-(2-methylpropyl)piperidine-3-carboxamide (CID 124990602) is (3S)-1-[6-(dimethylamino)pyrimidin-4-yl]-3-methyl-N-(2-methylpropyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[6-(dimethylamino)pyrimidin-4-yl]-3-methyl-N-(2-methylpropyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[6-(dimethylamino)pyrimidin-4-yl]-3-methyl-N-(2-methylpropyl)piperidine-3-carboxamide is CC(C)CNC(=O)[C@@]1(C)CCCN(c2cc(N(C)C)ncn2)C1.
What is the InChIKey of (3S)-1-[6-(dimethylamino)pyrimidin-4-yl]-3-methyl-N-(2-methylpropyl)piperidine-3-carboxamide?
The InChIKey is PCYBRKOQMUDJGV-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H29N5O/c1-13(2)10-18-16(23)17(3)7-6-8-22(11-17)15-9-14(21(4)5)19-12-20-15/h9,12-13H,6-8,10-11H2,1-5H3,(H,18,23)/t17-/m0/s1.
What are the key properties of (3S)-1-[6-(dimethylamino)pyrimidin-4-yl]-3-methyl-N-(2-methylpropyl)piperidine-3-carboxamide?
(3S)-1-[6-(dimethylamino)pyrimidin-4-yl]-3-methyl-N-(2-methylpropyl)piperidine-3-carboxamide has a molecular weight of 319.45 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[6-(dimethylamino)pyrimidin-4-yl]-3-methyl-N-(2-methylpropyl)piperidine-3-carboxamide is sourced from PubChem (CID 124990602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).