N-[6-[1-[2-(2-methoxyethoxy)acetyl]-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide

C23H27N5O4 — CID 68756383

IUPACN-[6-[1-[2-(2-methoxyethoxy)acetyl]-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
SMILESCOCCOCC(=O)N1CC=C(c2ccc(NC(=O)N3Cc4ccncc4C3)cn2)CC1
InChIInChI=1S/C23H27N5O4/c1-31-10-11-32-16-22(29)27-8-5-17(6-9-27)21-3-2-20(13-25-21)26-23(30)28-14-18-4-7-24-12-19(18)15-28/h2-5,7,12-13H,6,8-11,14-16H2,1H3,(H,26,30)
InChIKeySGIAUHPVJZASBF-UHFFFAOYSA-N
MW437.50 g/mol
LogP2.30
Rot. Bonds7

About N-[6-[1-[2-(2-methoxyethoxy)acetyl]-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide

N-[6-[1-[2-(2-methoxyethoxy)acetyl]-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide (PubChem CID 68756383) has the molecular formula C23H27N5O4 and a molecular weight of 437.50 g/mol. Its IUPAC name is N-[6-[1-[2-(2-methoxyethoxy)acetyl]-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-[1-[2-(2-methoxyethoxy)acetyl]-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
PubChem CID68756383
Molecular FormulaC23H27N5O4
Molecular Weight437.50 g/mol
Exact Mass437.21
IUPAC NameN-[6-[1-[2-(2-methoxyethoxy)acetyl]-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
SMILESCOCCOCC(=O)N1CC=C(c2ccc(NC(=O)N3Cc4ccncc4C3)cn2)CC1
InChIInChI=1S/C23H27N5O4/c1-31-10-11-32-16-22(29)27-8-5-17(6-9-27)21-3-2-20(13-25-21)26-23(30)28-14-18-4-7-24-12-19(18)15-28/h2-5,7,12-13H,6,8-11,14-16H2,1H3,(H,26,30)
InChIKeySGIAUHPVJZASBF-UHFFFAOYSA-N
XLogP2.30
TPSA96.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[6-[1-[2-(2-methoxyethoxy)acetyl]-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-[1-[2-(2-methoxyethoxy)acetyl]-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
The IUPAC name of N-[6-[1-[2-(2-methoxyethoxy)acetyl]-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide (CID 68756383) is N-[6-[1-[2-(2-methoxyethoxy)acetyl]-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[6-[1-[2-(2-methoxyethoxy)acetyl]-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
The canonical SMILES for N-[6-[1-[2-(2-methoxyethoxy)acetyl]-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide is COCCOCC(=O)N1CC=C(c2ccc(NC(=O)N3Cc4ccncc4C3)cn2)CC1.
What is the InChIKey of N-[6-[1-[2-(2-methoxyethoxy)acetyl]-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
The InChIKey is SGIAUHPVJZASBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O4/c1-31-10-11-32-16-22(29)27-8-5-17(6-9-27)21-3-2-20(13-25-21)26-23(30)28-14-18-4-7-24-12-19(18)15-28/h2-5,7,12-13H,6,8-11,14-16H2,1H3,(H,26,30).
What are the key properties of N-[6-[1-[2-(2-methoxyethoxy)acetyl]-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
N-[6-[1-[2-(2-methoxyethoxy)acetyl]-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide has a molecular weight of 437.50 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[1-[2-(2-methoxyethoxy)acetyl]-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 68756383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).