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

C23H20ClN7O4 — CID 130278395

IUPAC5-[4-[[1-[(5-chloro-2-pyridinyl)methyl]-5-ethyl-4,6-dioxo-1,3,5-triazin-2-yl]amino]phenoxy]pyridine-3-carboxamide
SMILESCCn1c(=O)nc(Nc2ccc(Oc3cncc(C(N)=O)c3)cc2)n(Cc2ccc(Cl)cn2)c1=O
InChIInChI=1S/C23H20ClN7O4/c1-2-30-22(33)29-21(31(23(30)34)13-17-4-3-15(24)11-27-17)28-16-5-7-18(8-6-16)35-19-9-14(20(25)32)10-26-12-19/h3-12H,2,13H2,1H3,(H2,25,32)(H,28,29,33)
InChIKeyKTIKYVYMNWGPPV-UHFFFAOYSA-N
MW493.91 g/mol
LogP2.55
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-carboxamide

5-[4-[[1-[(5-chloro-2-pyridinyl)methyl]-5-ethyl-4,6-dioxo-1,3,5-triazin-2-yl]amino]phenoxy]pyridine-3-carboxamide (PubChem CID 130278395) has the molecular formula C23H20ClN7O4 and a molecular weight of 493.91 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-carboxamide.

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-carboxamide
PubChem CID130278395
Molecular FormulaC23H20ClN7O4
Molecular Weight493.91 g/mol
Exact Mass493.13
IUPAC Name5-[4-[[1-[(5-chloro-2-pyridinyl)methyl]-5-ethyl-4,6-dioxo-1,3,5-triazin-2-yl]amino]phenoxy]pyridine-3-carboxamide
SMILESCCn1c(=O)nc(Nc2ccc(Oc3cncc(C(N)=O)c3)cc2)n(Cc2ccc(Cl)cn2)c1=O
InChIInChI=1S/C23H20ClN7O4/c1-2-30-22(33)29-21(31(23(30)34)13-17-4-3-15(24)11-27-17)28-16-5-7-18(8-6-16)35-19-9-14(20(25)32)10-26-12-19/h3-12H,2,13H2,1H3,(H2,25,32)(H,28,29,33)
InChIKeyKTIKYVYMNWGPPV-UHFFFAOYSA-N
XLogP2.55
TPSA147.02 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.91
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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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-carboxamide?
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-carboxamide (CID 130278395) is 5-[4-[[1-[(5-chloro-2-pyridinyl)methyl]-5-ethyl-4,6-dioxo-1,3,5-triazin-2-yl]amino]phenoxy]pyridine-3-carboxamide.
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-carboxamide?
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-carboxamide is CCn1c(=O)nc(Nc2ccc(Oc3cncc(C(N)=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-carboxamide?
The InChIKey is KTIKYVYMNWGPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN7O4/c1-2-30-22(33)29-21(31(23(30)34)13-17-4-3-15(24)11-27-17)28-16-5-7-18(8-6-16)35-19-9-14(20(25)32)10-26-12-19/h3-12H,2,13H2,1H3,(H2,25,32)(H,28,29,33).
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-carboxamide?
5-[4-[[1-[(5-chloro-2-pyridinyl)methyl]-5-ethyl-4,6-dioxo-1,3,5-triazin-2-yl]amino]phenoxy]pyridine-3-carboxamide has a molecular weight of 493.91 g/mol, XLogP of 2.55, 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-carboxamide is sourced from PubChem (CID 130278395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).