N-(cyclohexylmethyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)acetamide

C17H23N3O — CID 53144389

IUPACN-(cyclohexylmethyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)acetamide
SMILESCn1cc(CC(=O)NCC2CCCCC2)c2cccnc21
InChIInChI=1S/C17H23N3O/c1-20-12-14(15-8-5-9-18-17(15)20)10-16(21)19-11-13-6-3-2-4-7-13/h5,8-9,12-13H,2-4,6-7,10-11H2,1H3,(H,19,21)
InChIKeyXQWUHDCCCWNOKZ-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.81
Rot. Bonds4

About N-(cyclohexylmethyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)acetamide

N-(cyclohexylmethyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)acetamide (PubChem CID 53144389) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)acetamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)acetamide
PubChem CID53144389
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-(cyclohexylmethyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)acetamide
SMILESCn1cc(CC(=O)NCC2CCCCC2)c2cccnc21
InChIInChI=1S/C17H23N3O/c1-20-12-14(15-8-5-9-18-17(15)20)10-16(21)19-11-13-6-3-2-4-7-13/h5,8-9,12-13H,2-4,6-7,10-11H2,1H3,(H,19,21)
InChIKeyXQWUHDCCCWNOKZ-UHFFFAOYSA-N
XLogP2.81
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)acetamide?
The IUPAC name of N-(cyclohexylmethyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)acetamide (CID 53144389) is N-(cyclohexylmethyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)acetamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)acetamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)acetamide is Cn1cc(CC(=O)NCC2CCCCC2)c2cccnc21.
What is the InChIKey of N-(cyclohexylmethyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)acetamide?
The InChIKey is XQWUHDCCCWNOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-20-12-14(15-8-5-9-18-17(15)20)10-16(21)19-11-13-6-3-2-4-7-13/h5,8-9,12-13H,2-4,6-7,10-11H2,1H3,(H,19,21).
What are the key properties of N-(cyclohexylmethyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)acetamide?
N-(cyclohexylmethyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)acetamide has a molecular weight of 285.39 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)acetamide is sourced from PubChem (CID 53144389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).