N,4-dimethyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidine-1-carboxamide

C15H22N6O — CID 68742122

IUPACN,4-dimethyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidine-1-carboxamide
SMILESCNC(=O)N1CCC(C)C(N(C)c2ncnc3[nH]ccc23)C1
InChIInChI=1S/C15H22N6O/c1-10-5-7-21(15(22)16-2)8-12(10)20(3)14-11-4-6-17-13(11)18-9-19-14/h4,6,9-10,12H,5,7-8H2,1-3H3,(H,16,22)(H,17,18,19)
InChIKeyPTCATZVAAGVUQE-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.44
Rot. Bonds2

About N,4-dimethyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidine-1-carboxamide

N,4-dimethyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidine-1-carboxamide (PubChem CID 68742122) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is N,4-dimethyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidine-1-carboxamide.

Molecular Properties

Compound NameN,4-dimethyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidine-1-carboxamide
PubChem CID68742122
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC NameN,4-dimethyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidine-1-carboxamide
SMILESCNC(=O)N1CCC(C)C(N(C)c2ncnc3[nH]ccc23)C1
InChIInChI=1S/C15H22N6O/c1-10-5-7-21(15(22)16-2)8-12(10)20(3)14-11-4-6-17-13(11)18-9-19-14/h4,6,9-10,12H,5,7-8H2,1-3H3,(H,16,22)(H,17,18,19)
InChIKeyPTCATZVAAGVUQE-UHFFFAOYSA-N
XLogP1.44
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidine-1-carboxamide?
The IUPAC name of N,4-dimethyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidine-1-carboxamide (CID 68742122) is N,4-dimethyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidine-1-carboxamide.
What is the SMILES notation for N,4-dimethyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidine-1-carboxamide?
The canonical SMILES for N,4-dimethyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidine-1-carboxamide is CNC(=O)N1CCC(C)C(N(C)c2ncnc3[nH]ccc23)C1.
What is the InChIKey of N,4-dimethyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidine-1-carboxamide?
The InChIKey is PTCATZVAAGVUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O/c1-10-5-7-21(15(22)16-2)8-12(10)20(3)14-11-4-6-17-13(11)18-9-19-14/h4,6,9-10,12H,5,7-8H2,1-3H3,(H,16,22)(H,17,18,19).
What are the key properties of N,4-dimethyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidine-1-carboxamide?
N,4-dimethyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidine-1-carboxamide has a molecular weight of 302.38 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidine-1-carboxamide is sourced from PubChem (CID 68742122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).