N-[1-(4-cyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-5-yl]-N-methylacetamide

C25H27N5O2 — CID 155162030

IUPACN-[1-(4-cyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-5-yl]-N-methylacetamide
SMILESCC(=O)N(C)c1ccc2c(n1)c(C(=O)CN1CCCCC1)c(C)n2-c1ccc(C#N)cc1
InChIInChI=1S/C25H27N5O2/c1-17-24(22(32)16-29-13-5-4-6-14-29)25-21(11-12-23(27-25)28(3)18(2)31)30(17)20-9-7-19(15-26)8-10-20/h7-12H,4-6,13-14,16H2,1-3H3
InChIKeyPSXIJYNBXZHDHA-UHFFFAOYSA-N
MW429.52 g/mol
LogP3.86
Rot. Bonds5

About N-[1-(4-cyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-5-yl]-N-methylacetamide

N-[1-(4-cyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-5-yl]-N-methylacetamide (PubChem CID 155162030) has the molecular formula C25H27N5O2 and a molecular weight of 429.52 g/mol. Its IUPAC name is N-[1-(4-cyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-5-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[1-(4-cyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-5-yl]-N-methylacetamide
PubChem CID155162030
Molecular FormulaC25H27N5O2
Molecular Weight429.52 g/mol
Exact Mass429.22
IUPAC NameN-[1-(4-cyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-5-yl]-N-methylacetamide
SMILESCC(=O)N(C)c1ccc2c(n1)c(C(=O)CN1CCCCC1)c(C)n2-c1ccc(C#N)cc1
InChIInChI=1S/C25H27N5O2/c1-17-24(22(32)16-29-13-5-4-6-14-29)25-21(11-12-23(27-25)28(3)18(2)31)30(17)20-9-7-19(15-26)8-10-20/h7-12H,4-6,13-14,16H2,1-3H3
InChIKeyPSXIJYNBXZHDHA-UHFFFAOYSA-N
XLogP3.86
TPSA82.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-5-yl]-N-methylacetamide?
The IUPAC name of N-[1-(4-cyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-5-yl]-N-methylacetamide (CID 155162030) is N-[1-(4-cyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-5-yl]-N-methylacetamide.
What is the SMILES notation for N-[1-(4-cyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-5-yl]-N-methylacetamide?
The canonical SMILES for N-[1-(4-cyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-5-yl]-N-methylacetamide is CC(=O)N(C)c1ccc2c(n1)c(C(=O)CN1CCCCC1)c(C)n2-c1ccc(C#N)cc1.
What is the InChIKey of N-[1-(4-cyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-5-yl]-N-methylacetamide?
The InChIKey is PSXIJYNBXZHDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O2/c1-17-24(22(32)16-29-13-5-4-6-14-29)25-21(11-12-23(27-25)28(3)18(2)31)30(17)20-9-7-19(15-26)8-10-20/h7-12H,4-6,13-14,16H2,1-3H3.
What are the key properties of N-[1-(4-cyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-5-yl]-N-methylacetamide?
N-[1-(4-cyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-5-yl]-N-methylacetamide has a molecular weight of 429.52 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-5-yl]-N-methylacetamide is sourced from PubChem (CID 155162030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).