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

C16H17N5O4 — CID 135795770

IUPACN-[(Z)-1-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)propylideneamino]pyridine-4-carboxamide
SMILESC=CCn1c(O)c(/C(CC)=N\NC(=O)c2ccncc2)c(=O)[nH]c1=O
InChIInChI=1S/C16H17N5O4/c1-3-9-21-15(24)12(14(23)18-16(21)25)11(4-2)19-20-13(22)10-5-7-17-8-6-10/h3,5-8,24H,1,4,9H2,2H3,(H,20,22)(H,18,23,25)/b19-11-
InChIKeyYTLMAWVCZVLUTP-ODLFYWEKSA-N
MW343.34 g/mol
LogP0.37
Rot. Bonds6

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

N-[(Z)-1-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)propylideneamino]pyridine-4-carboxamide (PubChem CID 135795770) has the molecular formula C16H17N5O4 and a molecular weight of 343.34 g/mol. Its IUPAC name is N-[(Z)-1-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)propylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)propylideneamino]pyridine-4-carboxamide
PubChem CID135795770
Molecular FormulaC16H17N5O4
Molecular Weight343.34 g/mol
Exact Mass343.13
IUPAC NameN-[(Z)-1-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)propylideneamino]pyridine-4-carboxamide
SMILESC=CCn1c(O)c(/C(CC)=N\NC(=O)c2ccncc2)c(=O)[nH]c1=O
InChIInChI=1S/C16H17N5O4/c1-3-9-21-15(24)12(14(23)18-16(21)25)11(4-2)19-20-13(22)10-5-7-17-8-6-10/h3,5-8,24H,1,4,9H2,2H3,(H,20,22)(H,18,23,25)/b19-11-
InChIKeyYTLMAWVCZVLUTP-ODLFYWEKSA-N
XLogP0.37
TPSA129.44 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 50.37
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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Related Compounds

N-[(E)-1-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)ethylideneamino]benzamide
CID 135398902
N-[(Z)-1-[6-hydroxy-1-(4-methoxyphenyl)-2,4-dioxopyrimidin-5-yl]propylideneamino]pyridine-4-carboxamide
CID 137230094
2-hydroxy-N-[(E)-1-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)ethylideneamino]benzamide
CID 135535940
N-[1-(1-benzyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)propylideneamino]pentanamide
CID 3540557
6-hydroxy-5-[C-methyl-N-(naphthalen-1-ylamino)carbonimidoyl]-1-prop-2-enylpyrimidine-2,4-dione
CID 1400188
6-hydroxy-5-[(E)-C-methyl-N-(naphthalen-1-ylamino)carbonimidoyl]-1-prop-2-enylpyrimidine-2,4-dione
CID 135535942
2-chloro-N-[(E)-1-(6-hydroxy-2,4-dioxo-1-phenylpyrimidin-5-yl)propylideneamino]benzamide
CID 135398908
1-[1-(1-benzyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)propylideneamino]-3-phenylthiourea
CID 3696348
N-[(Z)-1-[1-(4-chlorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]propylideneamino]-2-hydroxybenzamide
CID 137199716
N-[(Z)-[1-(furan-2-ylmethyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]pyridine-4-carboxamide
CID 137289257
2-chloro-N-[1-[6-hydroxy-1-(4-methylphenyl)-2,4-dioxopyrimidin-5-yl]propylideneamino]benzamide
CID 3532673
2-chloro-N-[(E)-1-[6-hydroxy-1-(4-methylphenyl)-2,4-dioxopyrimidin-5-yl]propylideneamino]benzamide
CID 135630625

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)propylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(Z)-1-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)propylideneamino]pyridine-4-carboxamide (CID 135795770) is N-[(Z)-1-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)propylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(Z)-1-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)propylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(Z)-1-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)propylideneamino]pyridine-4-carboxamide is C=CCn1c(O)c(/C(CC)=N\NC(=O)c2ccncc2)c(=O)[nH]c1=O.
What is the InChIKey of N-[(Z)-1-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)propylideneamino]pyridine-4-carboxamide?
The InChIKey is YTLMAWVCZVLUTP-ODLFYWEKSA-N. The full InChI is InChI=1S/C16H17N5O4/c1-3-9-21-15(24)12(14(23)18-16(21)25)11(4-2)19-20-13(22)10-5-7-17-8-6-10/h3,5-8,24H,1,4,9H2,2H3,(H,20,22)(H,18,23,25)/b19-11-.
What are the key properties of N-[(Z)-1-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)propylideneamino]pyridine-4-carboxamide?
N-[(Z)-1-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)propylideneamino]pyridine-4-carboxamide has a molecular weight of 343.34 g/mol, XLogP of 0.37, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)propylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 135795770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).