N-methyl-N-[(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]cyclohexanamine

C20H30N4 — CID 95854323

IUPACN-methyl-N-[(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]cyclohexanamine
SMILESCN(Cc1c(C2CCNCC2)[nH]c2ncccc12)C1CCCCC1
InChIInChI=1S/C20H30N4/c1-24(16-6-3-2-4-7-16)14-18-17-8-5-11-22-20(17)23-19(18)15-9-12-21-13-10-15/h5,8,11,15-16,21H,2-4,6-7,9-10,12-14H2,1H3,(H,22,23)
InChIKeyMFEDWBIICQVBSS-UHFFFAOYSA-N
MW326.49 g/mol
LogP3.79
Rot. Bonds4

About N-methyl-N-[(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]cyclohexanamine

N-methyl-N-[(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]cyclohexanamine (PubChem CID 95854323) has the molecular formula C20H30N4 and a molecular weight of 326.49 g/mol. Its IUPAC name is N-methyl-N-[(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]cyclohexanamine.

Molecular Properties

Compound NameN-methyl-N-[(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]cyclohexanamine
PubChem CID95854323
Molecular FormulaC20H30N4
Molecular Weight326.49 g/mol
Exact Mass326.25
IUPAC NameN-methyl-N-[(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]cyclohexanamine
SMILESCN(Cc1c(C2CCNCC2)[nH]c2ncccc12)C1CCCCC1
InChIInChI=1S/C20H30N4/c1-24(16-6-3-2-4-7-16)14-18-17-8-5-11-22-20(17)23-19(18)15-9-12-21-13-10-15/h5,8,11,15-16,21H,2-4,6-7,9-10,12-14H2,1H3,(H,22,23)
InChIKeyMFEDWBIICQVBSS-UHFFFAOYSA-N
XLogP3.79
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.49
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]cyclohexanamine?
The IUPAC name of N-methyl-N-[(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]cyclohexanamine (CID 95854323) is N-methyl-N-[(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]cyclohexanamine.
What is the SMILES notation for N-methyl-N-[(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]cyclohexanamine?
The canonical SMILES for N-methyl-N-[(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]cyclohexanamine is CN(Cc1c(C2CCNCC2)[nH]c2ncccc12)C1CCCCC1.
What is the InChIKey of N-methyl-N-[(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]cyclohexanamine?
The InChIKey is MFEDWBIICQVBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4/c1-24(16-6-3-2-4-7-16)14-18-17-8-5-11-22-20(17)23-19(18)15-9-12-21-13-10-15/h5,8,11,15-16,21H,2-4,6-7,9-10,12-14H2,1H3,(H,22,23).
What are the key properties of N-methyl-N-[(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]cyclohexanamine?
N-methyl-N-[(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]cyclohexanamine has a molecular weight of 326.49 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]cyclohexanamine is sourced from PubChem (CID 95854323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).