N-formyl-4-[2-methyl-6-oxo-4-[(1Z,3E)-penta-1,3-dienyl]-5-[(Z)-prop-1-enyl]pyrimidin-1-yl]pentanamide

C19H25N3O3 — CID 166972944

IUPACN-formyl-4-[2-methyl-6-oxo-4-[(1Z,3E)-penta-1,3-dienyl]-5-[(Z)-prop-1-enyl]pyrimidin-1-yl]pentanamide
SMILESC/C=C\c1c(/C=C\C=C\C)nc(C)n(C(C)CCC(=O)NC=O)c1=O
InChIInChI=1S/C19H25N3O3/c1-5-7-8-10-17-16(9-6-2)19(25)22(15(4)21-17)14(3)11-12-18(24)20-13-23/h5-10,13-14H,11-12H2,1-4H3,(H,20,23,24)/b7-5+,9-6-,10-8-
InChIKeyJJVCCVQHUKHPKD-RFVQMCDWSA-N
MW343.43 g/mol
LogP2.79
Rot. Bonds8

About N-formyl-4-[2-methyl-6-oxo-4-[(1Z,3E)-penta-1,3-dienyl]-5-[(Z)-prop-1-enyl]pyrimidin-1-yl]pentanamide

N-formyl-4-[2-methyl-6-oxo-4-[(1Z,3E)-penta-1,3-dienyl]-5-[(Z)-prop-1-enyl]pyrimidin-1-yl]pentanamide (PubChem CID 166972944) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-formyl-4-[2-methyl-6-oxo-4-[(1Z,3E)-penta-1,3-dienyl]-5-[(Z)-prop-1-enyl]pyrimidin-1-yl]pentanamide.

Molecular Properties

Compound NameN-formyl-4-[2-methyl-6-oxo-4-[(1Z,3E)-penta-1,3-dienyl]-5-[(Z)-prop-1-enyl]pyrimidin-1-yl]pentanamide
PubChem CID166972944
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC NameN-formyl-4-[2-methyl-6-oxo-4-[(1Z,3E)-penta-1,3-dienyl]-5-[(Z)-prop-1-enyl]pyrimidin-1-yl]pentanamide
SMILESC/C=C\c1c(/C=C\C=C\C)nc(C)n(C(C)CCC(=O)NC=O)c1=O
InChIInChI=1S/C19H25N3O3/c1-5-7-8-10-17-16(9-6-2)19(25)22(15(4)21-17)14(3)11-12-18(24)20-13-23/h5-10,13-14H,11-12H2,1-4H3,(H,20,23,24)/b7-5+,9-6-,10-8-
InChIKeyJJVCCVQHUKHPKD-RFVQMCDWSA-N
XLogP2.79
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-formyl-4-[2-methyl-6-oxo-4-[(1Z,3E)-penta-1,3-dienyl]-5-[(Z)-prop-1-enyl]pyrimidin-1-yl]pentanamide?
The IUPAC name of N-formyl-4-[2-methyl-6-oxo-4-[(1Z,3E)-penta-1,3-dienyl]-5-[(Z)-prop-1-enyl]pyrimidin-1-yl]pentanamide (CID 166972944) is N-formyl-4-[2-methyl-6-oxo-4-[(1Z,3E)-penta-1,3-dienyl]-5-[(Z)-prop-1-enyl]pyrimidin-1-yl]pentanamide.
What is the SMILES notation for N-formyl-4-[2-methyl-6-oxo-4-[(1Z,3E)-penta-1,3-dienyl]-5-[(Z)-prop-1-enyl]pyrimidin-1-yl]pentanamide?
The canonical SMILES for N-formyl-4-[2-methyl-6-oxo-4-[(1Z,3E)-penta-1,3-dienyl]-5-[(Z)-prop-1-enyl]pyrimidin-1-yl]pentanamide is C/C=C\c1c(/C=C\C=C\C)nc(C)n(C(C)CCC(=O)NC=O)c1=O.
What is the InChIKey of N-formyl-4-[2-methyl-6-oxo-4-[(1Z,3E)-penta-1,3-dienyl]-5-[(Z)-prop-1-enyl]pyrimidin-1-yl]pentanamide?
The InChIKey is JJVCCVQHUKHPKD-RFVQMCDWSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-5-7-8-10-17-16(9-6-2)19(25)22(15(4)21-17)14(3)11-12-18(24)20-13-23/h5-10,13-14H,11-12H2,1-4H3,(H,20,23,24)/b7-5+,9-6-,10-8-.
What are the key properties of N-formyl-4-[2-methyl-6-oxo-4-[(1Z,3E)-penta-1,3-dienyl]-5-[(Z)-prop-1-enyl]pyrimidin-1-yl]pentanamide?
N-formyl-4-[2-methyl-6-oxo-4-[(1Z,3E)-penta-1,3-dienyl]-5-[(Z)-prop-1-enyl]pyrimidin-1-yl]pentanamide has a molecular weight of 343.43 g/mol, XLogP of 2.79, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-formyl-4-[2-methyl-6-oxo-4-[(1Z,3E)-penta-1,3-dienyl]-5-[(Z)-prop-1-enyl]pyrimidin-1-yl]pentanamide is sourced from PubChem (CID 166972944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).