3-[6-[4-[2-(methylaminomethyl)phenyl]phenyl]-7-oxo-6H-imidazo[4,5-c]pyridin-1-yl]benzamide

C27H23N5O2 — CID 18754074

IUPAC3-[6-[4-[2-(methylaminomethyl)phenyl]phenyl]-7-oxo-6H-imidazo[4,5-c]pyridin-1-yl]benzamide
SMILESCNCc1ccccc1-c1ccc(C2N=Cc3ncn(-c4cccc(C(N)=O)c4)c3C2=O)cc1
InChIInChI=1S/C27H23N5O2/c1-29-14-20-5-2-3-8-22(20)17-9-11-18(12-10-17)24-26(33)25-23(15-30-24)31-16-32(25)21-7-4-6-19(13-21)27(28)34/h2-13,15-16,24,29H,14H2,1H3,(H2,28,34)
InChIKeyGBTOPPRMAASGBC-UHFFFAOYSA-N
MW449.51 g/mol
LogP3.71
Rot. Bonds6

About 3-[6-[4-[2-(methylaminomethyl)phenyl]phenyl]-7-oxo-6H-imidazo[4,5-c]pyridin-1-yl]benzamide

3-[6-[4-[2-(methylaminomethyl)phenyl]phenyl]-7-oxo-6H-imidazo[4,5-c]pyridin-1-yl]benzamide (PubChem CID 18754074) has the molecular formula C27H23N5O2 and a molecular weight of 449.51 g/mol. Its IUPAC name is 3-[6-[4-[2-(methylaminomethyl)phenyl]phenyl]-7-oxo-6H-imidazo[4,5-c]pyridin-1-yl]benzamide.

Molecular Properties

Compound Name3-[6-[4-[2-(methylaminomethyl)phenyl]phenyl]-7-oxo-6H-imidazo[4,5-c]pyridin-1-yl]benzamide
PubChem CID18754074
Molecular FormulaC27H23N5O2
Molecular Weight449.51 g/mol
Exact Mass449.19
IUPAC Name3-[6-[4-[2-(methylaminomethyl)phenyl]phenyl]-7-oxo-6H-imidazo[4,5-c]pyridin-1-yl]benzamide
SMILESCNCc1ccccc1-c1ccc(C2N=Cc3ncn(-c4cccc(C(N)=O)c4)c3C2=O)cc1
InChIInChI=1S/C27H23N5O2/c1-29-14-20-5-2-3-8-22(20)17-9-11-18(12-10-17)24-26(33)25-23(15-30-24)31-16-32(25)21-7-4-6-19(13-21)27(28)34/h2-13,15-16,24,29H,14H2,1H3,(H2,28,34)
InChIKeyGBTOPPRMAASGBC-UHFFFAOYSA-N
XLogP3.71
TPSA102.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[4-[2-(methylaminomethyl)phenyl]phenyl]-7-oxo-6H-imidazo[4,5-c]pyridin-1-yl]benzamide?
The IUPAC name of 3-[6-[4-[2-(methylaminomethyl)phenyl]phenyl]-7-oxo-6H-imidazo[4,5-c]pyridin-1-yl]benzamide (CID 18754074) is 3-[6-[4-[2-(methylaminomethyl)phenyl]phenyl]-7-oxo-6H-imidazo[4,5-c]pyridin-1-yl]benzamide.
What is the SMILES notation for 3-[6-[4-[2-(methylaminomethyl)phenyl]phenyl]-7-oxo-6H-imidazo[4,5-c]pyridin-1-yl]benzamide?
The canonical SMILES for 3-[6-[4-[2-(methylaminomethyl)phenyl]phenyl]-7-oxo-6H-imidazo[4,5-c]pyridin-1-yl]benzamide is CNCc1ccccc1-c1ccc(C2N=Cc3ncn(-c4cccc(C(N)=O)c4)c3C2=O)cc1.
What is the InChIKey of 3-[6-[4-[2-(methylaminomethyl)phenyl]phenyl]-7-oxo-6H-imidazo[4,5-c]pyridin-1-yl]benzamide?
The InChIKey is GBTOPPRMAASGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N5O2/c1-29-14-20-5-2-3-8-22(20)17-9-11-18(12-10-17)24-26(33)25-23(15-30-24)31-16-32(25)21-7-4-6-19(13-21)27(28)34/h2-13,15-16,24,29H,14H2,1H3,(H2,28,34).
What are the key properties of 3-[6-[4-[2-(methylaminomethyl)phenyl]phenyl]-7-oxo-6H-imidazo[4,5-c]pyridin-1-yl]benzamide?
3-[6-[4-[2-(methylaminomethyl)phenyl]phenyl]-7-oxo-6H-imidazo[4,5-c]pyridin-1-yl]benzamide has a molecular weight of 449.51 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[4-[2-(methylaminomethyl)phenyl]phenyl]-7-oxo-6H-imidazo[4,5-c]pyridin-1-yl]benzamide is sourced from PubChem (CID 18754074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).