5-[4-[[1-[(5-chloro-2-pyridinyl)methyl]-5-ethyl-4,6-dioxo-1,3,5-triazin-2-yl]amino]phenoxy]pyridine-3-carboxylic acid

C23H19ClN6O5 — CID 130278609

IUPAC5-[4-[[1-[(5-chloro-2-pyridinyl)methyl]-5-ethyl-4,6-dioxo-1,3,5-triazin-2-yl]amino]phenoxy]pyridine-3-carboxylic acid
SMILESCCn1c(=O)nc(Nc2ccc(Oc3cncc(C(=O)O)c3)cc2)n(Cc2ccc(Cl)cn2)c1=O
InChIInChI=1S/C23H19ClN6O5/c1-2-29-22(33)28-21(30(23(29)34)13-17-4-3-15(24)11-26-17)27-16-5-7-18(8-6-16)35-19-9-14(20(31)32)10-25-12-19/h3-12H,2,13H2,1H3,(H,31,32)(H,27,28,33)
InChIKeyMNWFQRBZSOBFPQ-UHFFFAOYSA-N
MW494.90 g/mol
LogP3.15
Rot. Bonds8

About 5-[4-[[1-[(5-chloro-2-pyridinyl)methyl]-5-ethyl-4,6-dioxo-1,3,5-triazin-2-yl]amino]phenoxy]pyridine-3-carboxylic acid

5-[4-[[1-[(5-chloro-2-pyridinyl)methyl]-5-ethyl-4,6-dioxo-1,3,5-triazin-2-yl]amino]phenoxy]pyridine-3-carboxylic acid (PubChem CID 130278609) has the molecular formula C23H19ClN6O5 and a molecular weight of 494.90 g/mol. Its IUPAC name is 5-[4-[[1-[(5-chloro-2-pyridinyl)methyl]-5-ethyl-4,6-dioxo-1,3,5-triazin-2-yl]amino]phenoxy]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[4-[[1-[(5-chloro-2-pyridinyl)methyl]-5-ethyl-4,6-dioxo-1,3,5-triazin-2-yl]amino]phenoxy]pyridine-3-carboxylic acid
PubChem CID130278609
Molecular FormulaC23H19ClN6O5
Molecular Weight494.90 g/mol
Exact Mass494.11
IUPAC Name5-[4-[[1-[(5-chloro-2-pyridinyl)methyl]-5-ethyl-4,6-dioxo-1,3,5-triazin-2-yl]amino]phenoxy]pyridine-3-carboxylic acid
SMILESCCn1c(=O)nc(Nc2ccc(Oc3cncc(C(=O)O)c3)cc2)n(Cc2ccc(Cl)cn2)c1=O
InChIInChI=1S/C23H19ClN6O5/c1-2-29-22(33)28-21(30(23(29)34)13-17-4-3-15(24)11-26-17)27-16-5-7-18(8-6-16)35-19-9-14(20(31)32)10-25-12-19/h3-12H,2,13H2,1H3,(H,31,32)(H,27,28,33)
InChIKeyMNWFQRBZSOBFPQ-UHFFFAOYSA-N
XLogP3.15
TPSA141.23 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.90
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 5-[4-[[1-[(5-chloro-2-pyridinyl)methyl]-5-ethyl-4,6-dioxo-1,3,5-triazin-2-yl]amino]phenoxy]pyridine-3-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

methyl 5-[4-[[1-[(5-chloro-2-pyridinyl)methyl]-5-ethyl-4,6-dioxo-1,3,5-triazin-2-yl]amino]phenoxy]pyridine-2-carboxylate
CID 118945537
5-[4-[[5-[(2S)-butan-2-yl]-1-[(4-chlorophenyl)methyl]-4,6-dioxo-1,3,5-triazin-2-yl]amino]phenoxy]pyridine-3-carboxylic acid
CID 130278369
4-[4-[[1-[(4-chlorophenyl)methyl]-5-ethyl-4,6-dioxo-1,3,5-triazin-2-yl]amino]phenoxy]pyridine-2-carboxylic acid
CID 130278392
6-[4-[[1-[(4-chlorophenyl)methyl]-5-ethyl-4,6-dioxo-1,3,5-triazin-2-yl]amino]phenoxy]pyrimidine-4-carboxylic acid
CID 118945626
N-[5-[4-[[1-[(4-chlorophenyl)methyl]-5-ethyl-4,6-dioxo-1,3,5-triazin-2-yl]amino]phenoxy]-2-pyridinyl]propanamide
CID 118945672
N-[4-[4-[[1-[(4-chlorophenyl)methyl]-5-ethyl-4,6-dioxo-1,3,5-triazin-2-yl]amino]phenoxy]-2-pyridinyl]propanamide
CID 130279147
methyl 6-[4-[[1-[(4-chlorophenyl)methyl]-5-ethyl-4,6-dioxo-1,3,5-triazin-2-yl]amino]phenoxy]pyrimidine-4-carboxylate
CID 130278430
3-[3-[(4-chlorophenyl)methyl]-4-[4-(6-chloropyrimidin-4-yl)oxyanilino]-2,6-dioxo-1,3,5-triazin-1-yl]-2,2-dimethylpropanoic acid
CID 121295541
5-[4-[[1-[(4-chlorophenyl)methyl]-5-ethyl-4,6-dioxo-1,3,5-triazin-2-yl]amino]phenoxy]pyrazine-2-carbonitrile
CID 118945458
3-[3-[(4-chlorophenyl)methyl]-2,6-dioxo-4-(4-pyrazin-2-yloxyanilino)-1,3,5-triazin-1-yl]-2,2-dimethylpropanoic acid
CID 121295478
1-[(4-chlorophenyl)methyl]-6-[4-[(6-methyl-3-pyridinyl)oxy]anilino]-3-(2-oxobutyl)-1,3,5-triazine-2,4-dione
CID 159389633
2-[4-[[1-[(4-chlorophenyl)methyl]-5-ethyl-4,6-dioxo-1,3,5-triazin-2-yl]amino]phenoxy]pyridine-4-carbonitrile
CID 118945710

Frequently Asked Questions

What is the IUPAC name of 5-[4-[[1-[(5-chloro-2-pyridinyl)methyl]-5-ethyl-4,6-dioxo-1,3,5-triazin-2-yl]amino]phenoxy]pyridine-3-carboxylic acid?
The IUPAC name of 5-[4-[[1-[(5-chloro-2-pyridinyl)methyl]-5-ethyl-4,6-dioxo-1,3,5-triazin-2-yl]amino]phenoxy]pyridine-3-carboxylic acid (CID 130278609) is 5-[4-[[1-[(5-chloro-2-pyridinyl)methyl]-5-ethyl-4,6-dioxo-1,3,5-triazin-2-yl]amino]phenoxy]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[4-[[1-[(5-chloro-2-pyridinyl)methyl]-5-ethyl-4,6-dioxo-1,3,5-triazin-2-yl]amino]phenoxy]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[4-[[1-[(5-chloro-2-pyridinyl)methyl]-5-ethyl-4,6-dioxo-1,3,5-triazin-2-yl]amino]phenoxy]pyridine-3-carboxylic acid is CCn1c(=O)nc(Nc2ccc(Oc3cncc(C(=O)O)c3)cc2)n(Cc2ccc(Cl)cn2)c1=O.
What is the InChIKey of 5-[4-[[1-[(5-chloro-2-pyridinyl)methyl]-5-ethyl-4,6-dioxo-1,3,5-triazin-2-yl]amino]phenoxy]pyridine-3-carboxylic acid?
The InChIKey is MNWFQRBZSOBFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN6O5/c1-2-29-22(33)28-21(30(23(29)34)13-17-4-3-15(24)11-26-17)27-16-5-7-18(8-6-16)35-19-9-14(20(31)32)10-25-12-19/h3-12H,2,13H2,1H3,(H,31,32)(H,27,28,33).
What are the key properties of 5-[4-[[1-[(5-chloro-2-pyridinyl)methyl]-5-ethyl-4,6-dioxo-1,3,5-triazin-2-yl]amino]phenoxy]pyridine-3-carboxylic acid?
5-[4-[[1-[(5-chloro-2-pyridinyl)methyl]-5-ethyl-4,6-dioxo-1,3,5-triazin-2-yl]amino]phenoxy]pyridine-3-carboxylic acid has a molecular weight of 494.90 g/mol, XLogP of 3.15, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[1-[(5-chloro-2-pyridinyl)methyl]-5-ethyl-4,6-dioxo-1,3,5-triazin-2-yl]amino]phenoxy]pyridine-3-carboxylic acid is sourced from PubChem (CID 130278609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).