N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-(furan-2-ylmethyl)pyridine-3-carboxamide

C22H18BrN5O4 — CID 16549492

IUPACN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-(furan-2-ylmethyl)pyridine-3-carboxamide
SMILESNc1c(N(Cc2ccco2)C(=O)c2cncc(Br)c2)c(=O)[nH]c(=O)n1Cc1ccccc1
InChIInChI=1S/C22H18BrN5O4/c23-16-9-15(10-25-11-16)21(30)27(13-17-7-4-8-32-17)18-19(24)28(22(31)26-20(18)29)12-14-5-2-1-3-6-14/h1-11H,12-13,24H2,(H,26,29,31)
InChIKeyLAJMMTHYWQMOGF-UHFFFAOYSA-N
MW496.32 g/mol
LogP2.76
Rot. Bonds6

About N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-(furan-2-ylmethyl)pyridine-3-carboxamide

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-(furan-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 16549492) has the molecular formula C22H18BrN5O4 and a molecular weight of 496.32 g/mol. Its IUPAC name is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-(furan-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-(furan-2-ylmethyl)pyridine-3-carboxamide
PubChem CID16549492
Molecular FormulaC22H18BrN5O4
Molecular Weight496.32 g/mol
Exact Mass495.05
IUPAC NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-(furan-2-ylmethyl)pyridine-3-carboxamide
SMILESNc1c(N(Cc2ccco2)C(=O)c2cncc(Br)c2)c(=O)[nH]c(=O)n1Cc1ccccc1
InChIInChI=1S/C22H18BrN5O4/c23-16-9-15(10-25-11-16)21(30)27(13-17-7-4-8-32-17)18-19(24)28(22(31)26-20(18)29)12-14-5-2-1-3-6-14/h1-11H,12-13,24H2,(H,26,29,31)
InChIKeyLAJMMTHYWQMOGF-UHFFFAOYSA-N
XLogP2.76
TPSA127.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.32
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-bromo-N-(furan-2-ylmethyl)benzamide
CID 17435455
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)furan-2-carboxamide
CID 26195847
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-3-cyclohexyl-N-(furan-2-ylmethyl)propanamide
CID 16549494
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(furan-2-ylmethyl)acetamide
CID 98494262
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-4-phenoxybenzamide
CID 26195852
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-ethylpyridine-3-carboxamide
CID 29309908
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-butylpyridine-3-carboxamide
CID 16550113
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-tert-butyl-N-(furan-2-ylmethyl)benzamide
CID 26195848
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-3,5-dimethoxybenzamide
CID 2644398
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-4-methoxybenzamide
CID 8917753
5-bromo-N-(furan-2-ylmethyl)-N-methylpyridine-3-carboxamide
CID 60629759
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(furan-2-ylmethyl)-N-methyl-1,3-dioxoisoindole-5-carboxamide
CID 55336951

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-(furan-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-(furan-2-ylmethyl)pyridine-3-carboxamide (CID 16549492) is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-(furan-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-(furan-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-(furan-2-ylmethyl)pyridine-3-carboxamide is Nc1c(N(Cc2ccco2)C(=O)c2cncc(Br)c2)c(=O)[nH]c(=O)n1Cc1ccccc1.
What is the InChIKey of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-(furan-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is LAJMMTHYWQMOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BrN5O4/c23-16-9-15(10-25-11-16)21(30)27(13-17-7-4-8-32-17)18-19(24)28(22(31)26-20(18)29)12-14-5-2-1-3-6-14/h1-11H,12-13,24H2,(H,26,29,31).
What are the key properties of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-(furan-2-ylmethyl)pyridine-3-carboxamide?
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-(furan-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 496.32 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-(furan-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 16549492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).