7-(dibenzylamino)-N-methyl-2-[1-(oxan-3-yl)-2-oxo-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide

C33H33N5O3 — CID 146643640

IUPAC7-(dibenzylamino)-N-methyl-2-[1-(oxan-3-yl)-2-oxo-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESCNC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2[nH]c(-c3cccn(C4CCCOC4)c3=O)cc12
InChIInChI=1S/C33H33N5O3/c1-34-32(39)28-19-35-31(37(20-23-10-4-2-5-11-23)21-24-12-6-3-7-13-24)30-27(28)18-29(36-30)26-15-8-16-38(33(26)40)25-14-9-17-41-22-25/h2-8,10-13,15-16,18-19,25,36H,9,14,17,20-22H2,1H3,(H,34,39)
InChIKeyRORZMDNULDEYDZ-UHFFFAOYSA-N
MW547.66 g/mol
LogP5.31
Rot. Bonds8

About 7-(dibenzylamino)-N-methyl-2-[1-(oxan-3-yl)-2-oxo-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide

7-(dibenzylamino)-N-methyl-2-[1-(oxan-3-yl)-2-oxo-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (PubChem CID 146643640) has the molecular formula C33H33N5O3 and a molecular weight of 547.66 g/mol. Its IUPAC name is 7-(dibenzylamino)-N-methyl-2-[1-(oxan-3-yl)-2-oxo-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name7-(dibenzylamino)-N-methyl-2-[1-(oxan-3-yl)-2-oxo-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
PubChem CID146643640
Molecular FormulaC33H33N5O3
Molecular Weight547.66 g/mol
Exact Mass547.26
IUPAC Name7-(dibenzylamino)-N-methyl-2-[1-(oxan-3-yl)-2-oxo-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESCNC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2[nH]c(-c3cccn(C4CCCOC4)c3=O)cc12
InChIInChI=1S/C33H33N5O3/c1-34-32(39)28-19-35-31(37(20-23-10-4-2-5-11-23)21-24-12-6-3-7-13-24)30-27(28)18-29(36-30)26-15-8-16-38(33(26)40)25-14-9-17-41-22-25/h2-8,10-13,15-16,18-19,25,36H,9,14,17,20-22H2,1H3,(H,34,39)
InChIKeyRORZMDNULDEYDZ-UHFFFAOYSA-N
XLogP5.31
TPSA92.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.66
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

CID 72346
CID 72346
CID 454727
CID 454727
CID 462952
CID 462952
CID 466848
CID 466848
CID 126480560
CID 126480560
CID 462955
CID 462955
CID 466843
CID 466843
CID 470743
CID 470743
CID 121249908
CID 121249908
CID 135524110
CID 135524110
CID 135524168
CID 135524168
CID 5280235
CID 5280235

Frequently Asked Questions

What is the IUPAC name of 7-(dibenzylamino)-N-methyl-2-[1-(oxan-3-yl)-2-oxo-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The IUPAC name of 7-(dibenzylamino)-N-methyl-2-[1-(oxan-3-yl)-2-oxo-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (CID 146643640) is 7-(dibenzylamino)-N-methyl-2-[1-(oxan-3-yl)-2-oxo-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.
What is the SMILES notation for 7-(dibenzylamino)-N-methyl-2-[1-(oxan-3-yl)-2-oxo-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The canonical SMILES for 7-(dibenzylamino)-N-methyl-2-[1-(oxan-3-yl)-2-oxo-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is CNC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2[nH]c(-c3cccn(C4CCCOC4)c3=O)cc12.
What is the InChIKey of 7-(dibenzylamino)-N-methyl-2-[1-(oxan-3-yl)-2-oxo-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The InChIKey is RORZMDNULDEYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33N5O3/c1-34-32(39)28-19-35-31(37(20-23-10-4-2-5-11-23)21-24-12-6-3-7-13-24)30-27(28)18-29(36-30)26-15-8-16-38(33(26)40)25-14-9-17-41-22-25/h2-8,10-13,15-16,18-19,25,36H,9,14,17,20-22H2,1H3,(H,34,39).
What are the key properties of 7-(dibenzylamino)-N-methyl-2-[1-(oxan-3-yl)-2-oxo-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
7-(dibenzylamino)-N-methyl-2-[1-(oxan-3-yl)-2-oxo-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide has a molecular weight of 547.66 g/mol, XLogP of 5.31, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(dibenzylamino)-N-methyl-2-[1-(oxan-3-yl)-2-oxo-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is sourced from PubChem (CID 146643640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).