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

C20H22N4O3 — CID 139464816

IUPACN-[3-[6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide
SMILESCOC1(c2cccc(-c3cn(C)c4cnc(NC(C)=O)cc34)n2)CCOC1
InChIInChI=1S/C20H22N4O3/c1-13(25)22-19-9-14-15(11-24(2)17(14)10-21-19)16-5-4-6-18(23-16)20(26-3)7-8-27-12-20/h4-6,9-11H,7-8,12H2,1-3H3,(H,21,22,25)
InChIKeyZKKYEYMOMQIPLG-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.86
Rot. Bonds4

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

N-[3-[6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide (PubChem CID 139464816) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[3-[6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide.

Molecular Properties

Compound NameN-[3-[6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide
PubChem CID139464816
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC NameN-[3-[6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide
SMILESCOC1(c2cccc(-c3cn(C)c4cnc(NC(C)=O)cc34)n2)CCOC1
InChIInChI=1S/C20H22N4O3/c1-13(25)22-19-9-14-15(11-24(2)17(14)10-21-19)16-5-4-6-18(23-16)20(26-3)7-8-27-12-20/h4-6,9-11H,7-8,12H2,1-3H3,(H,21,22,25)
InChIKeyZKKYEYMOMQIPLG-UHFFFAOYSA-N
XLogP2.86
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide?
The IUPAC name of N-[3-[6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide (CID 139464816) is N-[3-[6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide.
What is the SMILES notation for N-[3-[6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide?
The canonical SMILES for N-[3-[6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide is COC1(c2cccc(-c3cn(C)c4cnc(NC(C)=O)cc34)n2)CCOC1.
What is the InChIKey of N-[3-[6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide?
The InChIKey is ZKKYEYMOMQIPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-13(25)22-19-9-14-15(11-24(2)17(14)10-21-19)16-5-4-6-18(23-16)20(26-3)7-8-27-12-20/h4-6,9-11H,7-8,12H2,1-3H3,(H,21,22,25).
What are the key properties of N-[3-[6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide?
N-[3-[6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide has a molecular weight of 366.42 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide is sourced from PubChem (CID 139464816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).