N-[(E)-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)methylideneamino]pyridine-4-carboxamide

C14H13N5O4 — CID 135421027

IUPACN-[(E)-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)methylideneamino]pyridine-4-carboxamide
SMILESC=CCn1c(O)c(/C=N/NC(=O)c2ccncc2)c(=O)[nH]c1=O
InChIInChI=1S/C14H13N5O4/c1-2-7-19-13(22)10(12(21)17-14(19)23)8-16-18-11(20)9-3-5-15-6-4-9/h2-6,8,22H,1,7H2,(H,18,20)(H,17,21,23)/b16-8+
InChIKeyDZIKPTAPJSNCEJ-LZYBPNLTSA-N
MW315.29 g/mol
LogP-0.41
Rot. Bonds5

About N-[(E)-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)methylideneamino]pyridine-4-carboxamide

N-[(E)-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)methylideneamino]pyridine-4-carboxamide (PubChem CID 135421027) has the molecular formula C14H13N5O4 and a molecular weight of 315.29 g/mol. Its IUPAC name is N-[(E)-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)methylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)methylideneamino]pyridine-4-carboxamide
PubChem CID135421027
Molecular FormulaC14H13N5O4
Molecular Weight315.29 g/mol
Exact Mass315.10
IUPAC NameN-[(E)-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)methylideneamino]pyridine-4-carboxamide
SMILESC=CCn1c(O)c(/C=N/NC(=O)c2ccncc2)c(=O)[nH]c1=O
InChIInChI=1S/C14H13N5O4/c1-2-7-19-13(22)10(12(21)17-14(19)23)8-16-18-11(20)9-3-5-15-6-4-9/h2-6,8,22H,1,7H2,(H,18,20)(H,17,21,23)/b16-8+
InChIKeyDZIKPTAPJSNCEJ-LZYBPNLTSA-N
XLogP-0.41
TPSA129.44 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-[(E)-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)methylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(E)-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)methylideneamino]pyridine-4-carboxamide (CID 135421027) is N-[(E)-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)methylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(E)-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)methylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(E)-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)methylideneamino]pyridine-4-carboxamide is C=CCn1c(O)c(/C=N/NC(=O)c2ccncc2)c(=O)[nH]c1=O.
What is the InChIKey of N-[(E)-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)methylideneamino]pyridine-4-carboxamide?
The InChIKey is DZIKPTAPJSNCEJ-LZYBPNLTSA-N. The full InChI is InChI=1S/C14H13N5O4/c1-2-7-19-13(22)10(12(21)17-14(19)23)8-16-18-11(20)9-3-5-15-6-4-9/h2-6,8,22H,1,7H2,(H,18,20)(H,17,21,23)/b16-8+.
What are the key properties of N-[(E)-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)methylideneamino]pyridine-4-carboxamide?
N-[(E)-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)methylideneamino]pyridine-4-carboxamide has a molecular weight of 315.29 g/mol, XLogP of -0.41, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)methylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 135421027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).