N-[3-[3-[4-(4-methylphenyl)phenyl]-2-oxo-5,6-dihydroimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide

C28H24N4O2 — CID 145296036

IUPACN-[3-[3-[4-(4-methylphenyl)phenyl]-2-oxo-5,6-dihydroimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cccc(-n2c3c(n(-c4ccc(-c5ccc(C)cc5)cc4)c2=O)=CNCC=3)c1
InChIInChI=1S/C28H24N4O2/c1-3-27(33)30-22-5-4-6-24(17-22)32-25-15-16-29-18-26(25)31(28(32)34)23-13-11-21(12-14-23)20-9-7-19(2)8-10-20/h3-15,17-18,29H,1,16H2,2H3,(H,30,33)
InChIKeyAKELEGPXIAEBRZ-UHFFFAOYSA-N
MW448.53 g/mol
LogP2.85
Rot. Bonds5

About N-[3-[3-[4-(4-methylphenyl)phenyl]-2-oxo-5,6-dihydroimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide

N-[3-[3-[4-(4-methylphenyl)phenyl]-2-oxo-5,6-dihydroimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide (PubChem CID 145296036) has the molecular formula C28H24N4O2 and a molecular weight of 448.53 g/mol. Its IUPAC name is N-[3-[3-[4-(4-methylphenyl)phenyl]-2-oxo-5,6-dihydroimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-[3-[4-(4-methylphenyl)phenyl]-2-oxo-5,6-dihydroimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide
PubChem CID145296036
Molecular FormulaC28H24N4O2
Molecular Weight448.53 g/mol
Exact Mass448.19
IUPAC NameN-[3-[3-[4-(4-methylphenyl)phenyl]-2-oxo-5,6-dihydroimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cccc(-n2c3c(n(-c4ccc(-c5ccc(C)cc5)cc4)c2=O)=CNCC=3)c1
InChIInChI=1S/C28H24N4O2/c1-3-27(33)30-22-5-4-6-24(17-22)32-25-15-16-29-18-26(25)31(28(32)34)23-13-11-21(12-14-23)20-9-7-19(2)8-10-20/h3-15,17-18,29H,1,16H2,2H3,(H,30,33)
InChIKeyAKELEGPXIAEBRZ-UHFFFAOYSA-N
XLogP2.85
TPSA68.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-methylphenyl)phenyl]prop-2-enamide
CID 166431632
N-[3-[3-[3-chloro-4-(4-methylphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide
CID 160665096
4-fluoro-N-[5-methyl-1-[3-(prop-2-enoylamino)phenyl]benzimidazol-2-yl]benzamide
CID 72699495
N-[3-(1,1-dioxothiazinan-2-yl)phenyl]prop-2-enamide
CID 166415169
N-[3-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]prop-2-enamide
CID 167627861
buta-1,3-diene;N-[3-(2,5-dimethyl-7-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]prop-2-enamide
CID 144693076
3-(4-methylphenyl)-5-(prop-2-enoylamino)benzoic acid
CID 178084000
N-(3-tert-butylphenyl)prop-2-enamide
CID 59788882
N-[3-(2-amino-4,7-dioxo-6-phenyl-3H-pteridin-8-yl)phenyl]prop-2-enamide
CID 175882507
N-[3-[9-[4-(methanesulfonamido)phenyl]-2-oxobenzo[h][1,6]naphthyridin-1-yl]phenyl]prop-2-enamide
CID 155367877
N-(3-methoxyphenyl)prop-2-enamide
CID 4069606
N-[3-(4-oxoazetidin-2-yl)oxyphenyl]prop-2-enamide
CID 167841322

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[4-(4-methylphenyl)phenyl]-2-oxo-5,6-dihydroimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide?
The IUPAC name of N-[3-[3-[4-(4-methylphenyl)phenyl]-2-oxo-5,6-dihydroimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide (CID 145296036) is N-[3-[3-[4-(4-methylphenyl)phenyl]-2-oxo-5,6-dihydroimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide.
What is the SMILES notation for N-[3-[3-[4-(4-methylphenyl)phenyl]-2-oxo-5,6-dihydroimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide?
The canonical SMILES for N-[3-[3-[4-(4-methylphenyl)phenyl]-2-oxo-5,6-dihydroimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide is C=CC(=O)Nc1cccc(-n2c3c(n(-c4ccc(-c5ccc(C)cc5)cc4)c2=O)=CNCC=3)c1.
What is the InChIKey of N-[3-[3-[4-(4-methylphenyl)phenyl]-2-oxo-5,6-dihydroimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide?
The InChIKey is AKELEGPXIAEBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N4O2/c1-3-27(33)30-22-5-4-6-24(17-22)32-25-15-16-29-18-26(25)31(28(32)34)23-13-11-21(12-14-23)20-9-7-19(2)8-10-20/h3-15,17-18,29H,1,16H2,2H3,(H,30,33).
What are the key properties of N-[3-[3-[4-(4-methylphenyl)phenyl]-2-oxo-5,6-dihydroimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide?
N-[3-[3-[4-(4-methylphenyl)phenyl]-2-oxo-5,6-dihydroimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide has a molecular weight of 448.53 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[4-(4-methylphenyl)phenyl]-2-oxo-5,6-dihydroimidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide is sourced from PubChem (CID 145296036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).