N-[(Z)-1-[6-hydroxy-1-(4-methoxyphenyl)-2,4-dioxopyrimidin-5-yl]propylideneamino]pyridine-4-carboxamide

C20H19N5O5 — CID 137230094

IUPACN-[(Z)-1-[6-hydroxy-1-(4-methoxyphenyl)-2,4-dioxopyrimidin-5-yl]propylideneamino]pyridine-4-carboxamide
SMILESCC/C(=N/NC(=O)c1ccncc1)c1c(O)n(-c2ccc(OC)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C20H19N5O5/c1-3-15(23-24-17(26)12-8-10-21-11-9-12)16-18(27)22-20(29)25(19(16)28)13-4-6-14(30-2)7-5-13/h4-11,28H,3H2,1-2H3,(H,24,26)(H,22,27,29)/b23-15-
InChIKeyNXXXFBRFNXWXOX-HAHDFKILSA-N
MW409.40 g/mol
LogP1.18
Rot. Bonds6

About N-[(Z)-1-[6-hydroxy-1-(4-methoxyphenyl)-2,4-dioxopyrimidin-5-yl]propylideneamino]pyridine-4-carboxamide

N-[(Z)-1-[6-hydroxy-1-(4-methoxyphenyl)-2,4-dioxopyrimidin-5-yl]propylideneamino]pyridine-4-carboxamide (PubChem CID 137230094) has the molecular formula C20H19N5O5 and a molecular weight of 409.40 g/mol. Its IUPAC name is N-[(Z)-1-[6-hydroxy-1-(4-methoxyphenyl)-2,4-dioxopyrimidin-5-yl]propylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-[6-hydroxy-1-(4-methoxyphenyl)-2,4-dioxopyrimidin-5-yl]propylideneamino]pyridine-4-carboxamide
PubChem CID137230094
Molecular FormulaC20H19N5O5
Molecular Weight409.40 g/mol
Exact Mass409.14
IUPAC NameN-[(Z)-1-[6-hydroxy-1-(4-methoxyphenyl)-2,4-dioxopyrimidin-5-yl]propylideneamino]pyridine-4-carboxamide
SMILESCC/C(=N/NC(=O)c1ccncc1)c1c(O)n(-c2ccc(OC)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C20H19N5O5/c1-3-15(23-24-17(26)12-8-10-21-11-9-12)16-18(27)22-20(29)25(19(16)28)13-4-6-14(30-2)7-5-13/h4-11,28H,3H2,1-2H3,(H,24,26)(H,22,27,29)/b23-15-
InChIKeyNXXXFBRFNXWXOX-HAHDFKILSA-N
XLogP1.18
TPSA138.67 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.40
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-[6-hydroxy-1-(4-methoxyphenyl)-2,4-dioxopyrimidin-5-yl]propylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(Z)-1-[6-hydroxy-1-(4-methoxyphenyl)-2,4-dioxopyrimidin-5-yl]propylideneamino]pyridine-4-carboxamide (CID 137230094) is N-[(Z)-1-[6-hydroxy-1-(4-methoxyphenyl)-2,4-dioxopyrimidin-5-yl]propylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(Z)-1-[6-hydroxy-1-(4-methoxyphenyl)-2,4-dioxopyrimidin-5-yl]propylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(Z)-1-[6-hydroxy-1-(4-methoxyphenyl)-2,4-dioxopyrimidin-5-yl]propylideneamino]pyridine-4-carboxamide is CC/C(=N/NC(=O)c1ccncc1)c1c(O)n(-c2ccc(OC)cc2)c(=O)[nH]c1=O.
What is the InChIKey of N-[(Z)-1-[6-hydroxy-1-(4-methoxyphenyl)-2,4-dioxopyrimidin-5-yl]propylideneamino]pyridine-4-carboxamide?
The InChIKey is NXXXFBRFNXWXOX-HAHDFKILSA-N. The full InChI is InChI=1S/C20H19N5O5/c1-3-15(23-24-17(26)12-8-10-21-11-9-12)16-18(27)22-20(29)25(19(16)28)13-4-6-14(30-2)7-5-13/h4-11,28H,3H2,1-2H3,(H,24,26)(H,22,27,29)/b23-15-.
What are the key properties of N-[(Z)-1-[6-hydroxy-1-(4-methoxyphenyl)-2,4-dioxopyrimidin-5-yl]propylideneamino]pyridine-4-carboxamide?
N-[(Z)-1-[6-hydroxy-1-(4-methoxyphenyl)-2,4-dioxopyrimidin-5-yl]propylideneamino]pyridine-4-carboxamide has a molecular weight of 409.40 g/mol, XLogP of 1.18, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-[6-hydroxy-1-(4-methoxyphenyl)-2,4-dioxopyrimidin-5-yl]propylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 137230094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).