N-[1-(6-cyclopentyloxy-4-methyl-2-pyridinyl)spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide

C22H26N4O2 — CID 170640717

IUPACN-[1-(6-cyclopentyloxy-4-methyl-2-pyridinyl)spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide
SMILESCC(=O)Nc1cc2c(cn1)C1(CC1)CN2c1cc(C)cc(OC2CCCC2)n1
InChIInChI=1S/C22H26N4O2/c1-14-9-20(25-21(10-14)28-16-5-3-4-6-16)26-13-22(7-8-22)17-12-23-19(11-18(17)26)24-15(2)27/h9-12,16H,3-8,13H2,1-2H3,(H,23,24,27)
InChIKeyKQNRVUQOMPSOSB-UHFFFAOYSA-N
MW378.48 g/mol
LogP4.25
Rot. Bonds4

About N-[1-(6-cyclopentyloxy-4-methyl-2-pyridinyl)spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide

N-[1-(6-cyclopentyloxy-4-methyl-2-pyridinyl)spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide (PubChem CID 170640717) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-[1-(6-cyclopentyloxy-4-methyl-2-pyridinyl)spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide.

Molecular Properties

Compound NameN-[1-(6-cyclopentyloxy-4-methyl-2-pyridinyl)spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide
PubChem CID170640717
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC NameN-[1-(6-cyclopentyloxy-4-methyl-2-pyridinyl)spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide
SMILESCC(=O)Nc1cc2c(cn1)C1(CC1)CN2c1cc(C)cc(OC2CCCC2)n1
InChIInChI=1S/C22H26N4O2/c1-14-9-20(25-21(10-14)28-16-5-3-4-6-16)26-13-22(7-8-22)17-12-23-19(11-18(17)26)24-15(2)27/h9-12,16H,3-8,13H2,1-2H3,(H,23,24,27)
InChIKeyKQNRVUQOMPSOSB-UHFFFAOYSA-N
XLogP4.25
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(6-cyclopentyloxy-4-methyl-2-pyridinyl)spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide?
The IUPAC name of N-[1-(6-cyclopentyloxy-4-methyl-2-pyridinyl)spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide (CID 170640717) is N-[1-(6-cyclopentyloxy-4-methyl-2-pyridinyl)spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide.
What is the SMILES notation for N-[1-(6-cyclopentyloxy-4-methyl-2-pyridinyl)spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide?
The canonical SMILES for N-[1-(6-cyclopentyloxy-4-methyl-2-pyridinyl)spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide is CC(=O)Nc1cc2c(cn1)C1(CC1)CN2c1cc(C)cc(OC2CCCC2)n1.
What is the InChIKey of N-[1-(6-cyclopentyloxy-4-methyl-2-pyridinyl)spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide?
The InChIKey is KQNRVUQOMPSOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-14-9-20(25-21(10-14)28-16-5-3-4-6-16)26-13-22(7-8-22)17-12-23-19(11-18(17)26)24-15(2)27/h9-12,16H,3-8,13H2,1-2H3,(H,23,24,27).
What are the key properties of N-[1-(6-cyclopentyloxy-4-methyl-2-pyridinyl)spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide?
N-[1-(6-cyclopentyloxy-4-methyl-2-pyridinyl)spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide has a molecular weight of 378.48 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-cyclopentyloxy-4-methyl-2-pyridinyl)spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide is sourced from PubChem (CID 170640717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).