N-[3-[6-(4-buta-1,2-dienyloxolan-3-yl)-2-pyridinyl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide

C23H24N4O2 — CID 155053331

IUPACN-[3-[6-(4-buta-1,2-dienyloxolan-3-yl)-2-pyridinyl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide
SMILESCC=C=CC1COCC1c1cccc(-c2cn(C)c3cnc(NC(C)=O)cc23)n1
InChIInChI=1S/C23H24N4O2/c1-4-5-7-16-13-29-14-19(16)21-9-6-8-20(26-21)18-12-27(3)22-11-24-23(10-17(18)22)25-15(2)28/h4,6-12,16,19H,13-14H2,1-3H3,(H,24,25,28)
InChIKeyRHEDQPXQXUQJLB-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.05
Rot. Bonds4

About N-[3-[6-(4-buta-1,2-dienyloxolan-3-yl)-2-pyridinyl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide

N-[3-[6-(4-buta-1,2-dienyloxolan-3-yl)-2-pyridinyl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide (PubChem CID 155053331) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-[3-[6-(4-buta-1,2-dienyloxolan-3-yl)-2-pyridinyl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide.

Molecular Properties

Compound NameN-[3-[6-(4-buta-1,2-dienyloxolan-3-yl)-2-pyridinyl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide
PubChem CID155053331
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC NameN-[3-[6-(4-buta-1,2-dienyloxolan-3-yl)-2-pyridinyl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide
SMILESCC=C=CC1COCC1c1cccc(-c2cn(C)c3cnc(NC(C)=O)cc23)n1
InChIInChI=1S/C23H24N4O2/c1-4-5-7-16-13-29-14-19(16)21-9-6-8-20(26-21)18-12-27(3)22-11-24-23(10-17(18)22)25-15(2)28/h4,6-12,16,19H,13-14H2,1-3H3,(H,24,25,28)
InChIKeyRHEDQPXQXUQJLB-UHFFFAOYSA-N
XLogP4.05
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 139464816
N-[1-(3-cyanocyclobutyl)-3-[6-(oxolan-3-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 139503843
N-[1-methyl-3-[6-methylsulfonyl-4-(oxetan-3-ylmethoxy)-2-pyridinyl]pyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 170694301
N-[3-[2-(1,1-difluoroethyl)-6-(oxetan-3-yloxy)pyrimidin-4-yl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 177028839
N-[3-[2-(1,1-difluoroethyl)pyrimidin-4-yl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 177028709
N-[3-[4-(3-cyanophenoxy)spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-2-yl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 168876887
N-[1-methyl-3-[4-[2-(oxetan-3-yl)ethoxy]spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-2-yl]pyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 170011604
N-[3-[6-(3-hydroxyoxetan-3-yl)-4-methoxy-2-pyridinyl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 139464906
N-[1-methyl-3-[4-[1-(oxan-4-yl)ethoxy]spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-2-yl]pyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 170012414
N-[3-(4-methoxy-6-methylsulfonyl-2-pyridinyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 166132128
N-[3-[4-[2-(3-fluorooxetan-3-yl)ethoxy]spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-2-yl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 170011606
N-[1-methyl-3-[4-(thian-4-ylmethoxy)spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-2-yl]pyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 168876859

Frequently Asked Questions

What is the IUPAC name of N-[3-[6-(4-buta-1,2-dienyloxolan-3-yl)-2-pyridinyl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide?
The IUPAC name of N-[3-[6-(4-buta-1,2-dienyloxolan-3-yl)-2-pyridinyl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide (CID 155053331) is N-[3-[6-(4-buta-1,2-dienyloxolan-3-yl)-2-pyridinyl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide.
What is the SMILES notation for N-[3-[6-(4-buta-1,2-dienyloxolan-3-yl)-2-pyridinyl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide?
The canonical SMILES for N-[3-[6-(4-buta-1,2-dienyloxolan-3-yl)-2-pyridinyl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide is CC=C=CC1COCC1c1cccc(-c2cn(C)c3cnc(NC(C)=O)cc23)n1.
What is the InChIKey of N-[3-[6-(4-buta-1,2-dienyloxolan-3-yl)-2-pyridinyl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide?
The InChIKey is RHEDQPXQXUQJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-4-5-7-16-13-29-14-19(16)21-9-6-8-20(26-21)18-12-27(3)22-11-24-23(10-17(18)22)25-15(2)28/h4,6-12,16,19H,13-14H2,1-3H3,(H,24,25,28).
What are the key properties of N-[3-[6-(4-buta-1,2-dienyloxolan-3-yl)-2-pyridinyl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide?
N-[3-[6-(4-buta-1,2-dienyloxolan-3-yl)-2-pyridinyl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide has a molecular weight of 388.47 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-(4-buta-1,2-dienyloxolan-3-yl)-2-pyridinyl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide is sourced from PubChem (CID 155053331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).