N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[3-(hydroxymethyl)phenyl]-1-methylpyrrolo[3,2-c]pyridine-4-carboxamide

C24H24N4O3 — CID 134805319

IUPACN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[3-(hydroxymethyl)phenyl]-1-methylpyrrolo[3,2-c]pyridine-4-carboxamide
SMILESCc1cc(C)c(CNC(=O)c2nc(-c3cccc(CO)c3)cc3c2ccn3C)c(=O)[nH]1
InChIInChI=1S/C24H24N4O3/c1-14-9-15(2)26-23(30)19(14)12-25-24(31)22-18-7-8-28(3)21(18)11-20(27-22)17-6-4-5-16(10-17)13-29/h4-11,29H,12-13H2,1-3H3,(H,25,31)(H,26,30)
InChIKeyKDZHMDUGYNDEBQ-UHFFFAOYSA-N
MW416.48 g/mol
LogP2.97
Rot. Bonds5

About N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[3-(hydroxymethyl)phenyl]-1-methylpyrrolo[3,2-c]pyridine-4-carboxamide

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[3-(hydroxymethyl)phenyl]-1-methylpyrrolo[3,2-c]pyridine-4-carboxamide (PubChem CID 134805319) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[3-(hydroxymethyl)phenyl]-1-methylpyrrolo[3,2-c]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[3-(hydroxymethyl)phenyl]-1-methylpyrrolo[3,2-c]pyridine-4-carboxamide
PubChem CID134805319
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[3-(hydroxymethyl)phenyl]-1-methylpyrrolo[3,2-c]pyridine-4-carboxamide
SMILESCc1cc(C)c(CNC(=O)c2nc(-c3cccc(CO)c3)cc3c2ccn3C)c(=O)[nH]1
InChIInChI=1S/C24H24N4O3/c1-14-9-15(2)26-23(30)19(14)12-25-24(31)22-18-7-8-28(3)21(18)11-20(27-22)17-6-4-5-16(10-17)13-29/h4-11,29H,12-13H2,1-3H3,(H,25,31)(H,26,30)
InChIKeyKDZHMDUGYNDEBQ-UHFFFAOYSA-N
XLogP2.97
TPSA100.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[3-(hydroxymethyl)phenyl]-1-methylpyrrolo[3,2-c]pyridine-4-carboxamide?
The IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[3-(hydroxymethyl)phenyl]-1-methylpyrrolo[3,2-c]pyridine-4-carboxamide (CID 134805319) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[3-(hydroxymethyl)phenyl]-1-methylpyrrolo[3,2-c]pyridine-4-carboxamide.
What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[3-(hydroxymethyl)phenyl]-1-methylpyrrolo[3,2-c]pyridine-4-carboxamide?
The canonical SMILES for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[3-(hydroxymethyl)phenyl]-1-methylpyrrolo[3,2-c]pyridine-4-carboxamide is Cc1cc(C)c(CNC(=O)c2nc(-c3cccc(CO)c3)cc3c2ccn3C)c(=O)[nH]1.
What is the InChIKey of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[3-(hydroxymethyl)phenyl]-1-methylpyrrolo[3,2-c]pyridine-4-carboxamide?
The InChIKey is KDZHMDUGYNDEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-14-9-15(2)26-23(30)19(14)12-25-24(31)22-18-7-8-28(3)21(18)11-20(27-22)17-6-4-5-16(10-17)13-29/h4-11,29H,12-13H2,1-3H3,(H,25,31)(H,26,30).
What are the key properties of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[3-(hydroxymethyl)phenyl]-1-methylpyrrolo[3,2-c]pyridine-4-carboxamide?
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[3-(hydroxymethyl)phenyl]-1-methylpyrrolo[3,2-c]pyridine-4-carboxamide has a molecular weight of 416.48 g/mol, XLogP of 2.97, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[3-(hydroxymethyl)phenyl]-1-methylpyrrolo[3,2-c]pyridine-4-carboxamide is sourced from PubChem (CID 134805319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).