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

C19H20N4O4 — CID 139464906

IUPACN-[3-[6-(3-hydroxyoxetan-3-yl)-4-methoxy-2-pyridinyl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide
SMILESCOc1cc(-c2cn(C)c3cnc(NC(C)=O)cc23)nc(C2(O)COC2)c1
InChIInChI=1S/C19H20N4O4/c1-11(24)21-18-6-13-14(8-23(2)16(13)7-20-18)15-4-12(26-3)5-17(22-15)19(25)9-27-10-19/h4-8,25H,9-10H2,1-3H3,(H,20,21,24)
InChIKeyZYYQAYNBLZEJQC-UHFFFAOYSA-N
MW368.39 g/mol
LogP1.82
Rot. Bonds4

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

N-[3-[6-(3-hydroxyoxetan-3-yl)-4-methoxy-2-pyridinyl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide (PubChem CID 139464906) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is N-[3-[6-(3-hydroxyoxetan-3-yl)-4-methoxy-2-pyridinyl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide.

Molecular Properties

Compound NameN-[3-[6-(3-hydroxyoxetan-3-yl)-4-methoxy-2-pyridinyl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide
PubChem CID139464906
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC NameN-[3-[6-(3-hydroxyoxetan-3-yl)-4-methoxy-2-pyridinyl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide
SMILESCOc1cc(-c2cn(C)c3cnc(NC(C)=O)cc23)nc(C2(O)COC2)c1
InChIInChI=1S/C19H20N4O4/c1-11(24)21-18-6-13-14(8-23(2)16(13)7-20-18)15-4-12(26-3)5-17(22-15)19(25)9-27-10-19/h4-8,25H,9-10H2,1-3H3,(H,20,21,24)
InChIKeyZYYQAYNBLZEJQC-UHFFFAOYSA-N
XLogP1.82
TPSA98.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(4-methoxy-6-methylsulfonyl-2-pyridinyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 166132128
N-[3-[6-[(3R)-3-methoxyoxolan-3-yl]-4-propoxy-2-pyridinyl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 139482485
N-[3-[6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 139464816
N-[3-[4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropoxy]-6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 151147831
N-[1-methyl-3-[6-methylsulfonyl-4-(oxetan-3-ylmethoxy)-2-pyridinyl]pyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 170694301
N-[3-[4-[2-(3-methoxyoxetan-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 170011602
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-[4-(3-hydroxy-3-methylbutoxy)-6-methylsulfonyl-2-pyridinyl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 170694268
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-[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-[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-[4-[(1-hydroxy-2-methylpropan-2-yl)oxymethyl]spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-2-yl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 169305641

Frequently Asked Questions

What is the IUPAC name of N-[3-[6-(3-hydroxyoxetan-3-yl)-4-methoxy-2-pyridinyl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide?
The IUPAC name of N-[3-[6-(3-hydroxyoxetan-3-yl)-4-methoxy-2-pyridinyl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide (CID 139464906) is N-[3-[6-(3-hydroxyoxetan-3-yl)-4-methoxy-2-pyridinyl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide.
What is the SMILES notation for N-[3-[6-(3-hydroxyoxetan-3-yl)-4-methoxy-2-pyridinyl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide?
The canonical SMILES for N-[3-[6-(3-hydroxyoxetan-3-yl)-4-methoxy-2-pyridinyl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide is COc1cc(-c2cn(C)c3cnc(NC(C)=O)cc23)nc(C2(O)COC2)c1.
What is the InChIKey of N-[3-[6-(3-hydroxyoxetan-3-yl)-4-methoxy-2-pyridinyl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide?
The InChIKey is ZYYQAYNBLZEJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4/c1-11(24)21-18-6-13-14(8-23(2)16(13)7-20-18)15-4-12(26-3)5-17(22-15)19(25)9-27-10-19/h4-8,25H,9-10H2,1-3H3,(H,20,21,24).
What are the key properties of N-[3-[6-(3-hydroxyoxetan-3-yl)-4-methoxy-2-pyridinyl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide?
N-[3-[6-(3-hydroxyoxetan-3-yl)-4-methoxy-2-pyridinyl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide has a molecular weight of 368.39 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-(3-hydroxyoxetan-3-yl)-4-methoxy-2-pyridinyl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide is sourced from PubChem (CID 139464906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).