N,N-dimethyl-1-[4-[[[5-(oxan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]methyl]cyclohexyl]piperidine-4-carboxamide

C26H40N6O2 — CID 169214940

IUPACN,N-dimethyl-1-[4-[[[5-(oxan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]methyl]cyclohexyl]piperidine-4-carboxamide
SMILESCN(C)C(=O)C1CCN(C2CCC(CNc3ncnc4[nH]cc(C5CCOCC5)c34)CC2)CC1
InChIInChI=1S/C26H40N6O2/c1-31(2)26(33)20-7-11-32(12-8-20)21-5-3-18(4-6-21)15-27-24-23-22(19-9-13-34-14-10-19)16-28-25(23)30-17-29-24/h16-21H,3-15H2,1-2H3,(H2,27,28,29,30)
InChIKeyZXJWPHPXAJMSRZ-UHFFFAOYSA-N
MW468.65 g/mol
LogP3.62
Rot. Bonds6

About N,N-dimethyl-1-[4-[[[5-(oxan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]methyl]cyclohexyl]piperidine-4-carboxamide

N,N-dimethyl-1-[4-[[[5-(oxan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]methyl]cyclohexyl]piperidine-4-carboxamide (PubChem CID 169214940) has the molecular formula C26H40N6O2 and a molecular weight of 468.65 g/mol. Its IUPAC name is N,N-dimethyl-1-[4-[[[5-(oxan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]methyl]cyclohexyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-[4-[[[5-(oxan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]methyl]cyclohexyl]piperidine-4-carboxamide
PubChem CID169214940
Molecular FormulaC26H40N6O2
Molecular Weight468.65 g/mol
Exact Mass468.32
IUPAC NameN,N-dimethyl-1-[4-[[[5-(oxan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]methyl]cyclohexyl]piperidine-4-carboxamide
SMILESCN(C)C(=O)C1CCN(C2CCC(CNc3ncnc4[nH]cc(C5CCOCC5)c34)CC2)CC1
InChIInChI=1S/C26H40N6O2/c1-31(2)26(33)20-7-11-32(12-8-20)21-5-3-18(4-6-21)15-27-24-23-22(19-9-13-34-14-10-19)16-28-25(23)30-17-29-24/h16-21H,3-15H2,1-2H3,(H2,27,28,29,30)
InChIKeyZXJWPHPXAJMSRZ-UHFFFAOYSA-N
XLogP3.62
TPSA86.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.65
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N,N-dimethyl-1-[4-[[[5-(oxan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]methyl]cyclohexyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[4-[[[5-(oxan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]methyl]cyclohexyl]piperidine-4-carboxamide?
The IUPAC name of N,N-dimethyl-1-[4-[[[5-(oxan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]methyl]cyclohexyl]piperidine-4-carboxamide (CID 169214940) is N,N-dimethyl-1-[4-[[[5-(oxan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]methyl]cyclohexyl]piperidine-4-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-[4-[[[5-(oxan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]methyl]cyclohexyl]piperidine-4-carboxamide?
The canonical SMILES for N,N-dimethyl-1-[4-[[[5-(oxan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]methyl]cyclohexyl]piperidine-4-carboxamide is CN(C)C(=O)C1CCN(C2CCC(CNc3ncnc4[nH]cc(C5CCOCC5)c34)CC2)CC1.
What is the InChIKey of N,N-dimethyl-1-[4-[[[5-(oxan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]methyl]cyclohexyl]piperidine-4-carboxamide?
The InChIKey is ZXJWPHPXAJMSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N6O2/c1-31(2)26(33)20-7-11-32(12-8-20)21-5-3-18(4-6-21)15-27-24-23-22(19-9-13-34-14-10-19)16-28-25(23)30-17-29-24/h16-21H,3-15H2,1-2H3,(H2,27,28,29,30).
What are the key properties of N,N-dimethyl-1-[4-[[[5-(oxan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]methyl]cyclohexyl]piperidine-4-carboxamide?
N,N-dimethyl-1-[4-[[[5-(oxan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]methyl]cyclohexyl]piperidine-4-carboxamide has a molecular weight of 468.65 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[4-[[[5-(oxan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]methyl]cyclohexyl]piperidine-4-carboxamide is sourced from PubChem (CID 169214940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).