N-(5-bromo-2-pyridinyl)-2-[2-oxo-2-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]ethyl]benzamide;methane

C25H25BrN4O2 — CID 162204578

IUPACN-(5-bromo-2-pyridinyl)-2-[2-oxo-2-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]ethyl]benzamide;methane
SMILESC.O=C(Cc1ccccc1C(=O)Nc1ccc(Br)cn1)c1ccc(C2=NCCCN2)cc1
InChIInChI=1S/C24H21BrN4O2.CH4/c25-19-10-11-22(28-15-19)29-24(31)20-5-2-1-4-18(20)14-21(30)16-6-8-17(9-7-16)23-26-12-3-13-27-23;/h1-2,4-11,15H,3,12-14H2,(H,26,27)(H,28,29,31);1H4
InChIKeyZSAFMSRMZDEWBB-UHFFFAOYSA-N
MW493.41 g/mol
LogP4.90
Rot. Bonds6

About N-(5-bromo-2-pyridinyl)-2-[2-oxo-2-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]ethyl]benzamide;methane

N-(5-bromo-2-pyridinyl)-2-[2-oxo-2-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]ethyl]benzamide;methane (PubChem CID 162204578) has the molecular formula C25H25BrN4O2 and a molecular weight of 493.41 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-2-[2-oxo-2-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]ethyl]benzamide;methane.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-2-[2-oxo-2-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]ethyl]benzamide;methane
PubChem CID162204578
Molecular FormulaC25H25BrN4O2
Molecular Weight493.41 g/mol
Exact Mass492.12
IUPAC NameN-(5-bromo-2-pyridinyl)-2-[2-oxo-2-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]ethyl]benzamide;methane
SMILESC.O=C(Cc1ccccc1C(=O)Nc1ccc(Br)cn1)c1ccc(C2=NCCCN2)cc1
InChIInChI=1S/C24H21BrN4O2.CH4/c25-19-10-11-22(28-15-19)29-24(31)20-5-2-1-4-18(20)14-21(30)16-6-8-17(9-7-16)23-26-12-3-13-27-23;/h1-2,4-11,15H,3,12-14H2,(H,26,27)(H,28,29,31);1H4
InChIKeyZSAFMSRMZDEWBB-UHFFFAOYSA-N
XLogP4.90
TPSA83.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.41
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(5-bromo-2-pyridinyl)-2-[2-oxo-2-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]ethyl]benzamide;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-chloro-2-pyridinyl)-2-[2-oxo-2-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]ethyl]benzamide
CID 158859432
N-(5-bromo-2-pyridinyl)-2-[2-[4-(N'-methylcarbamimidoyl)phenyl]-2-oxoethyl]benzamide;methane
CID 157377791
N-(5-bromo-2-pyridinyl)-2-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]-5-methylbenzamide;N-(5-chloro-2-pyridinyl)-2-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]-5-methylbenzamide;N-(5-chloro-2-pyridinyl)-5-methyl-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide;methane
CID 161494192
N-(5-bromo-2-pyridinyl)-2-[2-[2-[4-(1-ethyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]phenyl]acetamide
CID 160678192
N-(5-bromo-2-pyridinyl)-5-methyl-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide;3-chloro-N-(5-chloro-2-pyridinyl)-5-methyl-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide;N-(5-chloro-2-pyridinyl)-5-methyl-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide;methane
CID 158461578
4-chloro-N-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzamide
CID 82239946
1-N,2-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,2-dicarboxamide
CID 3036997
2-amino-N-(5-bromo-2-pyridinyl)benzamide
CID 13348356
2-acetamido-N-(5-bromo-2-pyridinyl)benzamide
CID 166872715
2-[2-(4-carbamimidoylphenyl)-2-oxoethyl]-N-(5-chloro-2-pyridinyl)benzamide;methane
CID 159242474
4-methyl-N-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzamide
CID 82251166
N-(5-bromo-2-pyridinyl)-2-iodobenzamide
CID 17019973

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-2-[2-oxo-2-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]ethyl]benzamide;methane?
The IUPAC name of N-(5-bromo-2-pyridinyl)-2-[2-oxo-2-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]ethyl]benzamide;methane (CID 162204578) is N-(5-bromo-2-pyridinyl)-2-[2-oxo-2-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]ethyl]benzamide;methane.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-2-[2-oxo-2-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]ethyl]benzamide;methane?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-2-[2-oxo-2-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]ethyl]benzamide;methane is C.O=C(Cc1ccccc1C(=O)Nc1ccc(Br)cn1)c1ccc(C2=NCCCN2)cc1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-2-[2-oxo-2-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]ethyl]benzamide;methane?
The InChIKey is ZSAFMSRMZDEWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21BrN4O2.CH4/c25-19-10-11-22(28-15-19)29-24(31)20-5-2-1-4-18(20)14-21(30)16-6-8-17(9-7-16)23-26-12-3-13-27-23;/h1-2,4-11,15H,3,12-14H2,(H,26,27)(H,28,29,31);1H4.
What are the key properties of N-(5-bromo-2-pyridinyl)-2-[2-oxo-2-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]ethyl]benzamide;methane?
N-(5-bromo-2-pyridinyl)-2-[2-oxo-2-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]ethyl]benzamide;methane has a molecular weight of 493.41 g/mol, XLogP of 4.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-2-[2-oxo-2-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]ethyl]benzamide;methane is sourced from PubChem (CID 162204578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).